

Bibliography

This document lists all the bibliographical references mentioned in the ABINIT documentation, with link(s) to the Web pages where such references are mentioned, as well as to the bibtex formatted reference. The bibtex file is available here.

Abrikosov1975

A.A. Abrikosov, L.P. Gorkov, E. Dzyaloshinskii
Methods of quantum field theory in statistical physics
Dover, New-York (1975)
DOI: https://doi.org/
bibtex

×

bibtex

@book{Abrikosov1975,
    author = "Abrikosov, A.A. and Gorkov, L.P. and Dzyaloshinskii, E.",
    title = "Methods of quantum field theory in statistical physics",
    journal = "Dover, New-York",
    year = "1975",
    volume = "",
    pages = "",
    doi = "",
    numpages = "",
    publisher = "Dover, New-York"
}

Adamo1998

Carlo Adamo, Vincenzo Barone
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The m$PW$ and m$PW1PW$ models
The Journal of Chemical Physics 108, 664-675 (1998)
URL: http://dx.doi.org/10.1063/1.475428
bibtex

×

bibtex

@article{Adamo1998,
    author = "Adamo, Carlo and Barone, Vincenzo",
    publisher = "AIP Publishing",
    doi = "10.1063/1.475428",
    title = "Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The m${PW}$ and m${PW1PW}$ models",
    url = "http://dx.doi.org/10.1063/1.475428",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "2",
    month = "January",
    volume = "108",
    source = "Crossref",
    year = "1998",
    pages = "664-675"
}

Adamo1999

Carlo Adamo, Vincenzo Barone
Toward reliable density functional methods without adjustable parameters: The PBE0 model
The Journal of Chemical Physics 110, 6158-6170 (1999)
URL: http://dx.doi.org/10.1063/1.478522
bibtex

×

bibtex

@article{Adamo1999,
    author = "Adamo, Carlo and Barone, Vincenzo",
    publisher = "AIP Publishing",
    doi = "10.1063/1.478522",
    title = "Toward reliable density functional methods without adjustable parameters: {The} {PBE0} model",
    url = "http://dx.doi.org/10.1063/1.478522",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "13",
    month = "April",
    volume = "110",
    source = "Crossref",
    year = "1999",
    pages = "6158-6170"
}

Adamo2002

Carlo Adamo, Vincenzo Barone
Physically motivated density functionals with improved performances: The modified Perdew–Burke–Ernzerhof model
The Journal of Chemical Physics 116, 5933-5940 (2002)
URL: http://dx.doi.org/10.1063/1.1458927
bibtex

×

bibtex

@article{Adamo2002,
    author = "Adamo, Carlo and Barone, Vincenzo",
    publisher = "AIP Publishing",
    doi = "10.1063/1.1458927",
    title = "Physically motivated density functionals with improved performances: {The} modified Perdew–{Burke}–Ernzerhof model",
    url = "http://dx.doi.org/10.1063/1.1458927",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "14",
    month = "April",
    volume = "116",
    source = "Crossref",
    year = "2002",
    pages = "5933-5940"
}

Adamson1998

Ross D Adamson, Peter M.W Gill, John A Pople
Empirical density functionals
Chemical Physics Letters 284, 6-11 (1998)
URL: http://dx.doi.org/10.1016/s0009-2614(97)01282-7
bibtex

×

bibtex

@article{Adamson1998,
    author = "Adamson, Ross D and Gill, Peter M.W and Pople, John A",
    publisher = "Elsevier BV",
    doi = "10.1016/s0009-2614(97)01282-7",
    title = "Empirical density functionals",
    url = "http://dx.doi.org/10.1016/s0009-2614(97)01282-7",
    journal = "Chemical Physics Letters",
    issn = "0009-2614",
    number = "1-2",
    month = "February",
    volume = "284",
    source = "Crossref",
    year = "1998",
    pages = "6-11"
}

Adler1962

Stephen L. Adler
Quantum Theory of the Dielectric Constant in Real Solids
Phys. Rev. 126, 413-420 (1962)
URL: https://doi.org/10.1103/physrev.126.413
bibtex

×

bibtex

@article{Adler1962,
    author = "Adler, Stephen L.",
    doi = "10.1103/physrev.126.413",
    issn = "0031-899X",
    journal = "Phys. Rev.",
    month = "April",
    number = "2",
    pages = "413-420",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Quantum Theory of the Dielectric Constant in Real Solids",
    url = "https://doi.org/10.1103/physrev.126.413",
    volume = "126",
    year = "1962"
}

Al-Lehaibi1987

Abdrabuh Al-Lehaibi, James C. Swihart, William H. Butler, Frank J. Pinski
Electron-phonon interaction effects in tantalum
Phys. Rev. B 36, 4103–4111 (1987)
URL: https://link.aps.org/doi/10.1103/PhysRevB.36.4103
bibtex

×

bibtex

@article{Al-Lehaibi1987,
    author = "Al-Lehaibi, Abdrabuh and Swihart, James C. and Butler, William H. and Pinski, Frank J.",
    title = "Electron-phonon interaction effects in tantalum",
    journal = "Phys. Rev. B",
    volume = "36",
    issue = "8",
    pages = "4103–4111",
    numpages = "0",
    year = "1987",
    month = "Sep",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.36.4103",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.36.4103"
}

Albrecht1998

Stefan Albrecht, Lucia Reining, Rodolfo Del Sole, Giovanni Onida
Ab InitioCalculation of Excitonic Effects in the Optical Spectra of Semiconductors
Phys. Rev. Lett. 80, 4510-4513 (1998)
URL: https://doi.org/10.1103/physrevlett.80.4510
bibtex

×

bibtex

@article{Albrecht1998,
    author = "Albrecht, Stefan and Reining, Lucia and Del Sole, Rodolfo and Onida, Giovanni",
    doi = "10.1103/physrevlett.80.4510",
    issn = "0031-9007, 1079-7114",
    journal = "Phys. Rev. Lett.",
    month = "May",
    number = "20",
    pages = "4510-4513",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Ab {InitioCalculation} of Excitonic Effects in the Optical Spectra of Semiconductors",
    url = "https://doi.org/10.1103/physrevlett.80.4510",
    volume = "80",
    year = "1998"
}

Alfe1999

Dario Alfè
Ab initio molecular dynamics, a simple algorithm for charge extrapolation
Computer Physics Communications 118, 31-33 (1999)
URL: http://dx.doi.org/10.1016/s0010-4655(98)00195-7
bibtex

×

bibtex

@article{Alfe1999,
    author = "Alfè, Dario",
    doi = "10.1016/s0010-4655(98)00195-7",
    number = "1",
    pages = "31-33",
    source = "Crossref",
    url = "http://dx.doi.org/10.1016/s0010-4655(98)00195-7",
    volume = "118",
    journal = "Computer Physics Communications",
    publisher = "Elsevier BV",
    title = "Ab initio molecular dynamics, a simple algorithm for charge extrapolation",
    issn = "0010-4655",
    year = "1999",
    month = "April"
}

Allen1972

Philip B. Allen
Neutron Spectroscopy of Superconductors
Phys. Rev. B 6, 2577–2579 (1972)
URL: https://link.aps.org/doi/10.1103/PhysRevB.6.2577
bibtex

×

bibtex

@article{Allen1972,
    author = "Allen, Philip B.",
    title = "Neutron Spectroscopy of Superconductors",
    journal = "Phys. Rev. B",
    volume = "6",
    issue = "7",
    pages = "2577–2579",
    numpages = "0",
    year = "1972",
    month = "Oct",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.6.2577",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.6.2577"
}

Allen1975

P. B. Allen, R. C. Dynes
Transition temperature of strong-coupled superconductors reanalyzed
Phys. Rev. B 12, 905-922 (1975)
URL: http://dx.doi.org/10.1103/physrevb.12.905
bibtex

×

bibtex

@article{Allen1975,
    author = "Allen, P. B. and Dynes, R. C.",
    doi = "10.1103/physrevb.12.905",
    number = "3",
    pages = "905-922",
    source = "Crossref",
    url = "http://dx.doi.org/10.1103/physrevb.12.905",
    volume = "12",
    journal = "Phys. Rev. B",
    publisher = "American Physical Society (APS)",
    title = "Transition temperature of strong-coupled superconductors reanalyzed",
    issn = "0556-2805",
    year = "1975",
    month = "August"
}

Allen1976

P B Allen, V Heine
Theory of the temperature dependence of electronic band structures
J. Phys. C: Solid State Phys. 9, 2305-2312 (1976)
URL: https://doi.org/10.1088/0022-3719/9/12/013
bibtex

×

bibtex

@article{Allen1976,
    author = "Allen, P B and Heine, V",
    doi = "10.1088/0022-3719/9/12/013",
    issn = "0022-3719",
    journal = "J. Phys. C: Solid State Phys.",
    month = "June",
    number = "12",
    pages = "2305-2312",
    publisher = "IOP Publishing",
    source = "Crossref",
    title = "Theory of the temperature dependence of electronic band structures",
    url = "https://doi.org/10.1088/0022-3719/9/12/013",
    volume = "9",
    year = "1976"
}

Allen1978

P. B. Allen
New method for solving Boltzmann’s equation for electrons in metals
Phys. Rev. B 17, 3725-3734 (1978)
URL: https://doi.org/10.1103/physrevb.17.3725
bibtex

×

bibtex

@article{Allen1978,
    author = "Allen, P. B.",
    doi = "10.1103/physrevb.17.3725",
    issn = "0163-1829",
    journal = "Phys. Rev. B",
    month = "May",
    number = "10",
    pages = "3725-3734",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "New method for solving Boltzmann's equation for electrons in metals",
    url = "https://doi.org/10.1103/physrevb.17.3725",
    volume = "17",
    year = "1978"
}

Allen1981

P. B. Allen, M. Cardona
Theory of the temperature dependence of the direct gap of germanium
Phys. Rev. B 23, 1495-1505 (1981)
URL: https://doi.org/10.1103/physrevb.23.1495
bibtex

×

bibtex

@article{Allen1981,
    author = "Allen, P. B. and Cardona, M.",
    doi = "10.1103/physrevb.23.1495",
    issn = "0163-1829",
    journal = "Phys. Rev. B",
    month = "February",
    number = "4",
    pages = "1495-1505",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Theory of the temperature dependence of the direct gap of germanium",
    url = "https://doi.org/10.1103/physrevb.23.1495",
    volume = "23",
    year = "1981"
}

Allen1983

P. B. Allen, M. Cardona
Temperature dependence of the direct gap of Si and Ge
Phys. Rev. B 27, 4760-4769 (1983)
URL: https://doi.org/10.1103/physrevb.27.4760
bibtex

×

bibtex

@article{Allen1983,
    author = "Allen, P. B. and Cardona, M.",
    doi = "10.1103/physrevb.27.4760",
    issn = "0163-1829",
    journal = "Phys. Rev. B",
    month = "April",
    number = "8",
    pages = "4760-4769",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Temperature dependence of the direct gap of Si and Ge",
    url = "https://doi.org/10.1103/physrevb.27.4760",
    volume = "27",
    year = "1983"
}

Allen1983a

Philip B. Allen, Božidar Mitrović
Theory of Superconducting Tc
Elsevier (1983)isbn: 9780126077377
URL: https://doi.org/10.1016/s0081-1947(08)60665-7
bibtex

×

bibtex

@incollection{Allen1983a,
    editor = "Ehrenreich, Henry and Seitz, Frederick and Turnbull, David",
    author = "Allen, Philip B. and Mitrović, Božidar",
    title = "Theory of Superconducting {Tc}",
    series = "Solid State Physics",
    publisher = "Elsevier",
    volume = "37",
    pages = "1-92",
    year = "1983",
    issn = "0081-1947",
    doi = "10.1016/s0081-1947(08)60665-7",
    url = "https://doi.org/10.1016/s0081-1947(08)60665-7",
    source = "Crossref",
    booktitle = "Solid State Physics",
    isbn = "9780126077377"
}

Allen1983b

Allen P. B.
A Tetrahedron Method for Doubly Constrained Brillouin Zone Integrals Application to Silicon Optic Phonon Decay
physica status solidi (b) 120, 529-538 (1983)
URL: https://onlinelibrary.wiley.com/doi/abs/10.1002/pssb.2221200209
bibtex

×

bibtex

@article{Allen1983b,
    author = "B., Allen P.",
    title = "A Tetrahedron Method for Doubly Constrained Brillouin Zone Integrals Application to Silicon Optic Phonon Decay",
    journal = "physica status solidi (b)",
    volume = "120",
    number = "2",
    pages = "529-538",
    doi = "10.1002/pssb.2221200209",
    url = "https://onlinelibrary.wiley.com/doi/abs/10.1002/pssb.2221200209",
    year = "1983"
}

Allen1983c

Philip B. Allen, Božidar Mitrović
Theory of Superconducting Tc
Academic Press (1983)
URL: http://www.sciencedirect.com/science/article/pii/S0081194708606657
bibtex

×

bibtex

@incollection{Allen1983c,
    editor = "Ehrenreich, Henry and Seitz, Frederick and Turnbull, David",
    author = "Allen, Philip B. and Mitrović, Božidar",
    title = "Theory of Superconducting Tc",
    series = "Solid State Physics",
    publisher = "Academic Press",
    volume = "37",
    pages = "1 - 92",
    year = "1983",
    issn = "0081-1947",
    doi = "https://doi.org/10.1016/S0081-1947(08)60665-7",
    url = "http://www.sciencedirect.com/science/article/pii/S0081194708606657"
}

Allen1987

Philip B. Allen
Theory of thermal relaxation of electrons in metals
Phys. Rev. Lett. 59, 1460–1463 (1987)
URL: https://link.aps.org/doi/10.1103/PhysRevLett.59.1460
bibtex

×

bibtex

@article{Allen1987,
    author = "Allen, Philip B.",
    title = "Theory of thermal relaxation of electrons in metals",
    journal = "Phys. Rev. Lett.",
    volume = "59",
    issue = "13",
    pages = "1460–1463",
    numpages = "0",
    year = "1987",
    month = "Sep",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevLett.59.1460",
    url = "https://link.aps.org/doi/10.1103/PhysRevLett.59.1460"
}

Allen1987a

M. P. Allen, D. J. Tildesley
Computer Simulation of Liquids
Oxford University Press (1987)
bibtex

×

bibtex

@book{Allen1987a,
    author = "Allen, M. P. and Tildesley, D. J.",
    title = "Computer Simulation of Liquids",
    publisher = "Oxford University Press",
    year = "1987"
}

Allen1996

Philip B. Allen
Boltzmann Theory and Resistivity of Metals
Springer US (1996)
URL: http://www.springer.com/la/book/9780792396666
bibtex

×

bibtex

@incollection{Allen1996,
    author = "Allen, Philip B.",
    booktitle = "Quantum Theory of Real Materials",
    issn = "0893-3405",
    pages = "219-250",
    publisher = "Springer US",
    editors = "Chelikowski, J.R. and Louie, S.G.",
    source = "Crossref",
    title = "Boltzmann Theory and Resistivity of Metals",
    url = "http://www.springer.com/la/book/9780792396666",
    year = "1996"
}

Allen2013

P. B. Allen, T. Berlijn, D. A. Casavant, J. M. Soler
Recovering hidden Bloch character: Unfolding electrons, phonons, and slabs
Phys. Rev. B 87, 085322 (2013)
URL: https://doi.org/10.1103/physrevb.87.085322
bibtex

×

bibtex

@article{Allen2013,
    author = "Allen, P. B. and Berlijn, T. and Casavant, D. A. and Soler, J. M.",
    doi = "10.1103/physrevb.87.085322",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "February",
    number = "8",
    pages = "085322",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Recovering hidden Bloch character: {Unfolding} electrons, phonons, and slabs",
    url = "https://doi.org/10.1103/physrevb.87.085322",
    volume = "87",
    year = "2013"
}

Amadon2006

B. Amadon, S. Biermann, A. Georges, F. Aryasetiawan
The α−γ Transition of Cerium Is Entropy Driven
Phys. Rev. Lett. 96, 066402 (2006)
URL: https://doi.org/10.1103/physrevlett.96.066402
bibtex

×

bibtex

@article{Amadon2006,
    author = "Amadon, B. and Biermann, S. and Georges, A. and Aryasetiawan, F.",
    doi = "10.1103/physrevlett.96.066402",
    issn = "0031-9007, 1079-7114",
    journal = "Phys. Rev. Lett.",
    month = "February",
    number = "6",
    pages = "066402",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "{The α−γ Transition} of Cerium Is Entropy Driven",
    url = "https://doi.org/10.1103/physrevlett.96.066402",
    volume = "96",
    year = "2006"
}

Amadon2008

B. Amadon, F. Lechermann, A. Georges, F. Jollet, T. O. Wehling, A. I. Lichtenstein
Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
Phys. Rev. B 77, 205112 (2008)
URL: https://doi.org/10.1103/physrevb.77.205112
bibtex

×

bibtex

@article{Amadon2008,
    author = "Amadon, B. and Lechermann, F. and Georges, A. and Jollet, F. and Wehling, T. O. and Lichtenstein, A. I.",
    doi = "10.1103/physrevb.77.205112",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "May",
    number = "20",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals",
    url = "https://doi.org/10.1103/physrevb.77.205112",
    volume = "77",
    year = "2008",
    pages = "205112"
}

Amadon2008a

B. Amadon, F. Jollet, M. Torrent
γ and β cerium: LDA+U calculations of ground-state parameters
Phys. Rev. B 77, 155104 (2008)
URL: https://doi.org/10.1103/physrevb.77.155104
bibtex

×

bibtex

@article{Amadon2008a,
    author = "Amadon, B. and Jollet, F. and Torrent, M.",
    doi = "10.1103/physrevb.77.155104",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "April",
    number = "15",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "{γ and β cerium: LDA+U calculations} of ground-state parameters",
    url = "https://doi.org/10.1103/physrevb.77.155104",
    volume = "77",
    year = "2008",
    pages = "155104"
}

Amadon2012

B Amadon
A self-consistent DFT + DMFT scheme in the projector augmented wave method: Applications to cerium, $Ce_2O_3$ and Pu2O3with the Hubbard I solver and comparison to DFT +U
J. Phys.: Condens. Matter 24, 075604 (2012)
URL: https://doi.org/10.1088/0953-8984/24/7/075604
bibtex

×

bibtex

@article{Amadon2012,
    author = "Amadon, B",
    doi = "10.1088/0953-8984/24/7/075604",
    issn = "0953-8984, 1361-648X",
    journal = "J. Phys.: Condens. Matter",
    month = "February",
    number = "7",
    pages = "075604",
    publisher = "IOP Publishing",
    source = "Crossref",
    title = "A self-consistent {DFT} + {DMFT} scheme in the projector augmented wave method: {Applications} to cerium, $Ce\_{2}O\_3$ and {Pu2O3with} the Hubbard {I} solver and comparison to {DFT} {+U}",
    url = "https://doi.org/10.1088/0953-8984/24/7/075604",
    volume = "24",
    year = "2012"
}

Amadon2014

Bernard Amadon, Thomas Applencourt, Fabien Bruneval
Screened Coulomb interaction calculations: Crpa implementation and applications to dynamical screening and self-consistency in uranium dioxide and cerium
Phys. Rev. B 89, 125110 (2014)
URL: https://doi.org/10.1103/physrevb.89.125110
bibtex

×

bibtex

@article{Amadon2014,
    author = "Amadon, Bernard and Applencourt, Thomas and Bruneval, Fabien",
    doi = "10.1103/physrevb.89.125110",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "March",
    number = "12",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Screened Coulomb interaction calculations: {Crpa} implementation and applications to dynamical screening and self-consistency in uranium dioxide and cerium",
    url = "https://doi.org/10.1103/physrevb.89.125110",
    volume = "89",
    year = "2014",
    pages = "125110"
}

Amadon2015

Bernard Amadon, Alexis Gerossier
Comparative analysis of models for the α−γ phase transition in cerium: A DFT+DMFT study using Wannier orbitals
Phys. Rev. B 91, 161103 (2015)
URL: https://doi.org/10.1103/physrevb.91.161103
bibtex

×

bibtex

@article{Amadon2015,
    author = "Amadon, Bernard and Gerossier, Alexis",
    doi = "10.1103/physrevb.91.161103",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "April",
    number = "16",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Comparative analysis of models for the α−γ phase transition in cerium: {A} {DFT+DMFT} study using Wannier orbitals",
    url = "https://doi.org/10.1103/physrevb.91.161103",
    volume = "91",
    year = "2015",
    pages = "161103"
}

Amadon2016

Bernard Amadon
First-principles DFT+DMFT calculations of structural properties of actinides: Role of Hund’s exchange, spin-orbit coupling, and crystal structure
Phys. Rev. B 94, 115148 (2016)
DOI: https://doi.org/10.1103/PhysRevB.94.115148
bibtex

×

bibtex

@article{Amadon2016,
    author = "Amadon, Bernard",
    journal = "Phys. Rev. B",
    volume = "94",
    pages = "115148",
    year = "2016",
    title = "First-principles DFT+DMFT calculations of structural properties of actinides: Role of Hund’s exchange, spin-orbit coupling, and crystal structure",
    doi = "10.1103/PhysRevB.94.115148"
}

Ambrosetti2012

A. Ambrosetti, P. L. Silvestrelli
van der Waals interactions in density functional theory using Wannier functions: Improved $C_6$ and $C_3$ coefficients by a different approach
Phys. Rev. B 85, 073101 (2012)
URL: https://doi.org/10.1103/physrevb.85.073101
bibtex

×

bibtex

@article{Ambrosetti2012,
    author = "Ambrosetti, A. and Silvestrelli, P. L.",
    title = "van der {Waals} interactions in density functional theory using Wannier functions: Improved $C\_6$ and $C\_3$ coefficients by a different approach",
    journal = "Phys. Rev. B",
    volume = "85",
    issue = "7",
    pages = "073101",
    numpages = "4",
    year = "2012",
    month = "February",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.85.073101",
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    author = "Barth, U von and Hedin, L",
    publisher = "IOP Publishing",
    doi = "10.1088/0022-3719/5/13/012",
    title = "A local exchange-correlation potential for the spin polarized case. i",
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    journal = "J. Phys. C: Solid State Phys.",
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    source = "Crossref",
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}

Bassani1975

G.F. Bassani, G.P. Parravicini
Electronic states and optical transitions in solids
Pergamon Press (1975)isbn: 9780080168463
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@book{Bassani1975,
    author = "Bassani, G.F. and Parravicini, G.P.",
    title = "Electronic states and optical transitions in solids",
    isbn = "9780080168463",
    lccn = "gb75022672",
    series = "International series of monographs in the science of the solid state",
    url = "https://books.google.be/books?id=cGh5AAAAIAAJ",
    year = "1975",
    publisher = "Pergamon Press"
}

Bechstedt1992

F. Bechstedt, R. Del Sole, G. Cappellini, Lucia Reining
An efficient method for calculating quasiparticle energies in semiconductors
Solid State Communications 84, 765 - 770 (1992)
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@article{Bechstedt1992,
    author = "Bechstedt, F. and Sole, R. Del and Cappellini, G. and Reining, Lucia",
    title = "An efficient method for calculating quasiparticle energies in semiconductors",
    journal = "Solid State Communications",
    volume = "84",
    number = "7",
    pages = "765 - 770",
    year = "1992",
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}

Becke1986

A. D. Becke
Density functional calculations of molecular bond energies
The Journal of Chemical Physics 84, 4524-4529 (1986)
URL: http://dx.doi.org/10.1063/1.450025
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@article{Becke1986,
    author = "Becke, A. D.",
    publisher = "AIP Publishing",
    doi = "10.1063/1.450025",
    title = "Density functional calculations of molecular bond energies",
    url = "http://dx.doi.org/10.1063/1.450025",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "8",
    month = "April",
    volume = "84",
    source = "Crossref",
    year = "1986",
    pages = "4524-4529"
}

Becke1986a

A. D. Becke
On the large-gradient behavior of the density functional exchange energy
The Journal of Chemical Physics 85, 7184-7187 (1986)
URL: https://doi.org/10.1063/1.451353
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@article{Becke1986a,
    author = "Becke, A. D.",
    title = "On the large-gradient behavior of the density functional exchange energy",
    journal = "The Journal of Chemical Physics",
    volume = "85",
    number = "12",
    pages = "7184-7187",
    year = "1986",
    doi = "10.1063/1.451353",
    URL = "https://doi.org/10.1063/1.451353"
}

Becke1988

A. D. Becke
Density-functional exchange-energy approximation with correct asymptotic behavior
Phys. Rev. A 38, 3098-3100 (1988)
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@article{Becke1988,
    author = "Becke, A. D.",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physreva.38.3098",
    title = "Density-functional exchange-energy approximation with correct asymptotic behavior",
    url = "http://dx.doi.org/10.1103/physreva.38.3098",
    journal = "Phys. Rev. A",
    issn = "0556-2791",
    number = "6",
    month = "September",
    volume = "38",
    source = "Crossref",
    year = "1988",
    pages = "3098-3100"
}

Becke1990

A. D. Becke, K. E. Edgecombe
A simple measure of electron localization in atomic and molecular systems
The Journal of Chemical Physics 92, 5397-5403 (1990)
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@article{Becke1990,
    author = "Becke, A. D. and Edgecombe, K. E.",
    doi = "10.1063/1.458517",
    issn = "0021-9606, 1089-7690",
    journal = "The Journal of Chemical Physics",
    month = "May",
    number = "9",
    pages = "5397-5403",
    publisher = "AIP Publishing",
    source = "Crossref",
    title = "A simple measure of electron localization in atomic and molecular systems",
    url = "https://doi.org/10.1063/1.458517",
    volume = "92",
    year = "1990"
}

Becke1997

Axel D. Becke
Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals
The Journal of Chemical Physics 107, 8554-8560 (1997)
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@article{Becke1997,
    author = "Becke, Axel D.",
    publisher = "AIP Publishing",
    doi = "10.1063/1.475007",
    title = "Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals",
    url = "http://dx.doi.org/10.1063/1.475007",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "20",
    month = "November",
    volume = "107",
    source = "Crossref",
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}

Becke2006

Axel D. Becke, Erin R. Johnson
A simple effective potential for exchange
The Journal of Chemical Physics ****, https://doi.org/10.1063/1.2213970 (2006)
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@article{Becke2006,
    author = "Becke, Axel D. and Johnson, Erin R.",
    title = "A simple effective potential for exchange",
    journal = "The Journal of Chemical Physics",
    volume = "124",
    number = "22",
    pages = "221101",
    year = "2006",
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}

Belinicher1980

V I Belinicher, B I Sturman
The photogalvanic effect in media lacking a center of symmetry
Soviet Physics Uspekhi 23, 199–223 (1980)
URL: https://doi.org/10.1070%2Fpu1980v023n03abeh004703
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@article{Belinicher1980,
    author = "Belinicher, V I and Sturman, B I",
    doi = "10.1070/pu1980v023n03abeh004703",
    journal = "Soviet Physics Uspekhi",
    month = "mar",
    number = "3",
    pages = "199–223",
    publisher = "{IOP} Publishing",
    title = "The photogalvanic effect in media lacking a center of symmetry",
    url = "https://doi.org/10.1070\%2Fpu1980v023n03abeh004703",
    volume = "23",
    year = "1980"
}

Benedict1998

Lorin X. Benedict, Eric L. Shirley, Robert B. Bohn
Optical Absorption of Insulators and the Electron-Hole Interaction: An ab initio Calculation
Phys. Rev. Lett. 80, 4514-4517 (1998)
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@article{Benedict1998,
    author = "Benedict, Lorin X. and Shirley, Eric L. and Bohn, Robert B.",
    doi = "10.1103/physrevlett.80.4514",
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    journal = "Phys. Rev. Lett.",
    month = "May",
    number = "20",
    pages = "4514-4517",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Optical Absorption of Insulators and the Electron-Hole Interaction: An ab initio Calculation",
    url = "https://doi.org/10.1103/physrevlett.80.4514",
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    year = "1998"
}

Bengone2000

O. Bengone, M. Alouani, P. Blöchl, J. Hugel
Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO
Phys. Rev. B 62, 16392-16401 (2000)
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@article{Bengone2000,
    author = "Bengone, O. and Alouani, M. and Blöchl, P. and Hugel, J.",
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    journal = "Phys. Rev. B",
    month = "December",
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    pages = "16392-16401",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Implementation of the projector augmented-wave {LDA+U} method: {Application} to the electronic structure of {NiO}",
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    volume = "62",
    year = "2000"
}

Berendsen1984

Herman JC Berendsen, JPM van Postma, Wilfred F van Gunsteren, ARHJ DiNola, JR Haak
Molecular dynamics with coupling to an external bath
The Journal of chemical physics 81, 3684–3690 (1984)
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@article{Berendsen1984,
    author = "Berendsen, Herman JC and Postma, JPM van and van Gunsteren, Wilfred F and DiNola, ARHJ and Haak, JR",
    title = "Molecular dynamics with coupling to an external bath",
    journal = "The Journal of chemical physics",
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Berger2015

J. A. Berger
Fully Parameter-Free Calculation of Optical Spectra for Insulators, Semiconductors, and Metals from a Simple Polarization Functional
Phys. Rev. Lett. 115, 137402 (2015)
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@article{Berger2015,
    author = "Berger, J. A.",
    title = "Fully Parameter-Free Calculation of Optical Spectra for Insulators, Semiconductors, and Metals from a Simple Polarization Functional",
    journal = "Phys. Rev. Lett.",
    volume = "115",
    issue = "13",
    pages = "137402",
    numpages = "5",
    year = "2015",
    month = "Sep",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevLett.115.137402",
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Bergeron2016

Dominic Bergeron, A.-M. S. Tremblay
Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation
Phys. Rev. E 94, 023303 (2016)
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@article{Bergeron2016,
    author = "Bergeron, Dominic and Tremblay, A.-M. S.",
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    publisher = "American Physical Society (APS)",
    source = "Crossref",
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Bernasconi1995

M. Bernasconi, G. L. Chairotti, P. Focher, S. Scandolo, E. Tosatti, M. Parrinello
First-Principles-constant pressure molecular dynamics
J. Phys. Chem. Solids 56, 501-505 (1995)
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@article{Bernasconi1995,
    author = "Bernasconi, M. and Chairotti, G. L. and Focher, P. and Scandolo, S. and Tosatti, E. and Parrinello, M.",
    title = "First-Principles-constant pressure molecular dynamics",
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}

Berne1998

Classical and Quantum Dynamics in Condensed Phase Simulations
World Scientific, Singapore (1998)
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@book{Berne1998,
    editor = "Berne, B. J. and Ciccotti, G. and Cocker, D. F.",
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Bhagavantam1964

S. Bhagavantam, P. V. Pantulu
Crystal symmetry and physical properties: Application of group theory
Proceedings of the Indian Academy of Sciences - Section A 60, 1–10 (1964)
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@article{Bhagavantam1964,
    author = "Bhagavantam, S. and Pantulu, P. V.",
    title = "Crystal symmetry and physical properties: Application of group theory",
    journal = "Proceedings of the Indian Academy of Sciences - Section A",
    year = "1964",
    month = "Jul",
    day = "01",
    volume = "60",
    number = "1",
    pages = "1–10",
    abstract = "A group theoretical method given by one of us in earlier publications for studying the effect of crystal symmetry on physical properties is now extended to cover the galvanomagnetic, thermomagnetic and piezo-galvanomagnetic effects in single crystals. These effects have gained importance in semi-conductor physics and such studies are therefore of current interest and may be expected to yield valuable new information.",
    issn = "0370-0089",
    url = "https://www.ias.ac.in/article/fulltext/seca/060/01/0001-0010"
}

Bieder2014

J. Bieder, B. Amadon
Thermodynamics of the α-γ transition in cerium from first principles
Phys. Rev. B 89, 195132 (2014)
URL: https://doi.org/10.1103/physrevb.89.195132
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@article{Bieder2014,
    author = "Bieder, J. and Amadon, B.",
    doi = "10.1103/physrevb.89.195132",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "May",
    number = "19",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Thermodynamics of the α-γ transition in cerium from first principles",
    url = "https://doi.org/10.1103/physrevb.89.195132",
    volume = "89",
    year = "2014",
    pages = "195132"
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Bitzek2006

Erik Bitzek, Pekka Koskinen, Franz Gähler, Michael Moseler, Peter Gumbsch
Structural Relaxation Made Simple
Phys. Rev. Lett. 97, 170201 (2006)
URL: https://link.aps.org/doi/10.1103/PhysRevLett.97.170201
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@article{Bitzek2006,
    author = "Bitzek, Erik and Koskinen, Pekka and Gähler, Franz and Moseler, Michael and Gumbsch, Peter",
    title = "Structural Relaxation Made Simple",
    journal = "Phys. Rev. Lett.",
    volume = "97",
    issue = "17",
    pages = "170201",
    numpages = "4",
    year = "2006",
    month = "Oct",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevLett.97.170201",
    url = "https://link.aps.org/doi/10.1103/PhysRevLett.97.170201"
}

Blanco1997

Miguel A. Blanco, M. Flórez, M. Bermejo
Evaluation of the rotation matrices in the basis of real spherical harmonics
J. Mol. Struct. THEOCHEM 419, 19-27 (1997)
URL: https://doi.org/10.1016/s0166-1280(97)00185-1
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@article{Blanco1997,
    author = "Blanco, Miguel A. and Flórez, M. and Bermejo, M.",
    title = "Evaluation of the rotation matrices in the basis of real spherical harmonics",
    journal = "J. Mol. Struct. THEOCHEM",
    volume = "419",
    number = "1-3",
    pages = "19-27",
    year = "1997",
    issn = "0166-1280",
    doi = "10.1016/s0166-1280(97)00185-1",
    url = "https://doi.org/10.1016/s0166-1280(97)00185-1",
    keywords = "Wigner functions, Real spherical harmonics, Electronic structure calculations, Rotation matrices",
    source = "Crossref",
    publisher = "Elsevier BV",
    month = "December"
}

Blancoa1997

Miguel A. Blanco, M. Flórez, M. Bermejo
Evaluation of the rotation matrices in the basis of real spherical harmonics
J. Mol. Struct. THEOCHEM 419, 19-27 (1997)
URL: https://doi.org/10.1016/s0166-1280(97)00185-1
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@article{Blancoa1997,
    author = "Blanco, Miguel A. and Flórez, M. and Bermejo, M.",
    doi = "10.1016/s0166-1280(97)00185-1",
    issn = "0166-1280",
    journal = "J. Mol. Struct. THEOCHEM",
    month = "December",
    number = "1-3",
    pages = "19-27",
    publisher = "Elsevier BV",
    source = "Crossref",
    title = "Evaluation of the rotation matrices in the basis of real spherical harmonics",
    url = "https://doi.org/10.1016/s0166-1280(97)00185-1",
    volume = "419",
    year = "1997"
}

Blanes2002

S. Blanes, P. C. Moan
Practical symplectic partitioned Runge–Kutta and Runge–Kutta–Nystrom methods
J. Comp. and Appl. Math. 142, 313-330 (2002)
URL: https://doi.org/10.1016/S0377-0427(01)00492-7
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bibtex

@article{Blanes2002,
    author = "Blanes, S. and Moan, P. C.",
    title = "Practical symplectic partitioned Runge–Kutta and Runge–Kutta–Nystrom methods",
    journal = "J. Comp. and Appl. Math.",
    year = "2002",
    pages = "313-330",
    volume = "142",
    url = "https://doi.org/10.1016/S0377-0427(01)00492-7"
}

Bloch1929

F. Bloch
Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitfähigkeit
Zeitschrift für Physik 57, 545-555 (1929)
URL: https://doi.org/10.1007/BF01340281
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@article{Bloch1929,
    author = "Bloch, F.",
    title = "Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitfähigkeit",
    journal = "Zeitschrift für Physik",
    volume = "57",
    number = "7",
    pages = "545-555",
    year = "1929",
    url = "https://doi.org/10.1007/BF01340281",
    doi = "10.1007/BF01340281"
}

Bloechl1990

Peter E. Bl"ochl
Generalized separable potentials for electronic-structure calculations
Phys. Rev. B 41, 5414–5416 (1990)
URL: https://link.aps.org/doi/10.1103/PhysRevB.41.5414
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@article{Bloechl1990,
    author = {Bl\"ochl, Peter E.},
    title = "Generalized separable potentials for electronic-structure calculations",
    journal = "Phys. Rev. B",
    volume = "41",
    issue = "8",
    pages = "5414–5416",
    numpages = "0",
    year = "1990",
    month = "Mar",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.41.5414",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.41.5414"
}

Bloechl1994

P. E. Blöchl
Projector augmented-wave method
Phys. Rev. B 50, 17953-17979 (1994)
URL: https://doi.org/10.1103/physrevb.50.17953
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@article{Bloechl1994,
    author = "Blöchl, P. E.",
    doi = "10.1103/physrevb.50.17953",
    issn = "0163-1829, 1095-3795",
    journal = "Phys. Rev. B",
    month = "December",
    number = "24",
    pages = "17953-17979",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Projector augmented-wave method",
    url = "https://doi.org/10.1103/physrevb.50.17953",
    volume = "50",
    year = "1994"
}

Bloechl1994a

Peter E. Blöchl, O. Jepsen, O. K. Andersen
Improved tetrahedron method for Brillouin-zone integrations
Phys. Rev. B 49, 16223-16233 (1994)
URL: https://doi.org/10.1103/physrevb.49.16223
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bibtex

@article{Bloechl1994a,
    author = "Blöchl, Peter E. and Jepsen, O. and Andersen, O. K.",
    doi = "10.1103/physrevb.49.16223",
    issn = "0163-1829, 1095-3795",
    journal = "Phys. Rev. B",
    month = "June",
    number = "23",
    pages = "16223-16233",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Improved tetrahedron method for Brillouin-zone integrations",
    url = "https://doi.org/10.1103/physrevb.49.16223",
    volume = "49",
    year = "1994"
}

Bockstedte1997

Michel Bockstedte, Alexander Kley, Jörg Neugebauer, Matthias Scheffler
Density-functional theory calculations for poly-atomic systems: Electronic structure, static and elastic properties and ab initio molecular dynamics
Comput. Phys. Commun. 107, 187-222 (1997)
URL: https://doi.org/10.1016/s0010-4655(97)00117-3
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@article{Bockstedte1997,
    author = "Bockstedte, Michel and Kley, Alexander and Neugebauer, Jörg and Scheffler, Matthias",
    doi = "10.1016/s0010-4655(97)00117-3",
    issn = "0010-4655",
    journal = "Comput. Phys. Commun.",
    month = "December",
    number = "1-3",
    pages = "187-222",
    publisher = "Elsevier BV",
    source = "Crossref",
    title = "Density-functional theory calculations for poly-atomic systems: {Electronic} structure, static and elastic properties and ab initio molecular dynamics",
    url = "https://doi.org/10.1016/s0010-4655(97)00117-3",
    volume = "107",
    year = "1997"
}

Boehnke2011

Lewin Boehnke, Hartmut Hafermann, Michel Ferrero, Frank Lechermann, Olivier Parcollet
Orthogonal polynomial representation of imaginary-time Green’s functions
Phys. Rev. B 84, 075145 (2011)
URL: https://link.aps.org/doi/10.1103/PhysRevB.84.075145
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@article{Boehnke2011,
    author = "Boehnke, Lewin and Hafermann, Hartmut and Ferrero, Michel and Lechermann, Frank and Parcollet, Olivier",
    title = "Orthogonal polynomial representation of imaginary-time Green's functions",
    journal = "Phys. Rev. B",
    volume = "84",
    issue = "7",
    pages = "075145",
    numpages = "13",
    year = "2011",
    month = "Aug",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.84.075145",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.84.075145"
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Boese2000

A. Daniel Boese, Nikos L. Doltsinis, Nicholas C. Handy, Michiel Sprik
New generalized gradient approximation functionals
The Journal of Chemical Physics 112, 1670-1678 (2000)
URL: http://dx.doi.org/10.1063/1.480732
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bibtex

@article{Boese2000,
    author = "Boese, A. Daniel and Doltsinis, Nikos L. and Handy, Nicholas C. and Sprik, Michiel",
    publisher = "AIP Publishing",
    doi = "10.1063/1.480732",
    title = "New generalized gradient approximation functionals",
    url = "http://dx.doi.org/10.1063/1.480732",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "4",
    month = "January",
    volume = "112",
    source = "Crossref",
    year = "2000",
    pages = "1670-1678"
}

Boese2001

A. Daniel Boese, Nicholas C. Handy
A new parametrization of exchange–correlation generalized gradient approximation functionals
The Journal of Chemical Physics 114, 5497-5503 (2001)
URL: http://dx.doi.org/10.1063/1.1347371
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×

bibtex

@article{Boese2001,
    author = "Boese, A. Daniel and Handy, Nicholas C.",
    publisher = "AIP Publishing",
    doi = "10.1063/1.1347371",
    title = "A new parametrization of exchange–correlation generalized gradient approximation functionals",
    url = "http://dx.doi.org/10.1063/1.1347371",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
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@article{Bruneval2012,
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@article{Casida1998,
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@article{Casida1998a,
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@article{Ceperley1980,
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    number = "2",
    source = "Crossref",
    publisher = "American Physical Society (APS)",
    issn = "1098-0121, 1550-235X",
    month = "July"
}

Cheetham1983

A. K. Cheetham, D. A. O. Hope
Magnetic ordering and exchange effects in the antiferromagnetic solid solutions Mn$_x$Ni$_1$$_-$$_x$O
Phys. Rev. B 27, 6964–6967 (1983)
URL: https://link.aps.org/doi/10.1103/PhysRevB.27.6964
bibtex

×

bibtex

@article{Cheetham1983,
    author = "Cheetham, A. K. and Hope, D. A. O.",
    title = "Magnetic ordering and exchange effects in the antiferromagnetic solid solutions Mn$\_{x}$Ni$\_1$$\_-$$\_x$O",
    journal = "Phys. Rev. B",
    volume = "27",
    issue = "11",
    pages = "6964–6967",
    numpages = "0",
    year = "1983",
    month = "Jun",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.27.6964",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.27.6964"
}

Chelikowsky2000

James R Chelikowsky
The pseudopotential-density functional method applied to nanostructures
Journal of Physics D: Applied Physics 33, R33 (2000)
URL: http://stacks.iop.org/0022-3727/33/i=8/a=201
bibtex

×

bibtex

@article{Chelikowsky2000,
    author = "Chelikowsky, James R",
    title = "The pseudopotential-density functional method applied to nanostructures",
    journal = "Journal of Physics D: Applied Physics",
    year = "2000",
    pages = "R33",
    volume = "33",
    number = "8",
    abstract = "In this review, I will describe the combination of pseudopotentials and density functional theory to determine the electronic structure of matter. This combination, called the pseudopotential-density functional method (PDFM), represents the most popular technique for examining a wide range of structural and electronic properties. I will illustrate applications of the PDFM to problems of current interest: nanostructures and other complex confined systems.",
    url = "http://stacks.iop.org/0022-3727/33/i=8/a=201"
}

Chen2015

Wei Chen, Alfredo Pasquarello
Accurate band gaps of extended systems via efficient vertex corrections in $GW$
Phys. Rev. B 92, 041115 (2015)
URL: https://link.aps.org/doi/10.1103/PhysRevB.92.041115
bibtex

×

bibtex

@article{Chen2015,
    author = "Chen, Wei and Pasquarello, Alfredo",
    title = "Accurate band gaps of extended systems via efficient vertex corrections in $GW$",
    journal = "Phys. Rev. B",
    volume = "92",
    issue = "4",
    pages = "041115",
    numpages = "5",
    year = "2015",
    month = "Jul",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.92.041115",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.92.041115"
}

Chen2016

Wei Chen, Francesco Ambrosio, Giacomo Miceli, Alfredo Pasquarello
Ab initio Electronic Structure of Liquid Water
Phys. Rev. Lett. 117, 186401 (2016)
URL: https://link.aps.org/doi/10.1103/PhysRevLett.117.186401
bibtex

×

bibtex

@article{Chen2016,
    author = "Chen, Wei and Ambrosio, Francesco and Miceli, Giacomo and Pasquarello, Alfredo",
    title = "Ab initio Electronic Structure of Liquid Water",
    journal = "Phys. Rev. Lett.",
    volume = "117",
    issue = "18",
    pages = "186401",
    numpages = "6",
    year = "2016",
    month = "Oct",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevLett.117.186401",
    url = "https://link.aps.org/doi/10.1103/PhysRevLett.117.186401"
}

Chen2016a

Hanghui Chen, Andrew J. Millis
Spin-density functional theories and their $+U$ and $+J$ extensions: A comparative study of transition metals and transition metal oxides
Phys. Rev. B 93, 045133 (2016)
URL: https://link.aps.org/doi/10.1103/PhysRevB.93.045133
bibtex

×

bibtex

@article{Chen2016a,
    author = "Chen, Hanghui and Millis, Andrew J.",
    title = "Spin-density functional theories and their $+U$ and $+J$ extensions: A comparative study of transition metals and transition metal oxides",
    journal = "Phys. Rev. B",
    volume = "93",
    issue = "4",
    pages = "045133",
    numpages = "8",
    year = "2016",
    month = "Jan",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.93.045133",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.93.045133"
}

Cococcioni2002

M. Cococcioni
A LDA+U study of selected iron compounds
SISSA (2002)
URL: https://iris.sissa.it/handle/20.500.11767/3939#
bibtex

×

bibtex

@PHDTHESIS{Cococcioni2002,
    author = "Cococcioni, M.",
    title = "A LDA+U study of selected iron compounds",
    school = "SISSA",
    year = "2002",
    owner = "amadonb",
    timestamp = "2018.06.12",
    url = "https://iris.sissa.it/handle/20.500.11767/3939#"
}

Cococcioni2005

Matteo Cococcioni, Stefano de Gironcoli
Linear response approach to the calculation of the effective interaction parameters in the LDA+U method
Phys. Rev. B 71, 035105 (2005)
URL: https://doi.org/10.1103/physrevb.71.035105
bibtex

×

bibtex

@article{Cococcioni2005,
    author = "Cococcioni, Matteo and de Gironcoli, Stefano",
    doi = "10.1103/physrevb.71.035105",
    issn = "1098-0121, 1550-235X",
    journal = "Phys. Rev. B",
    month = "January",
    number = "3",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Linear response approach to the calculation of the effective interaction parameters in the LDA+U method",
    url = "https://doi.org/10.1103/physrevb.71.035105",
    volume = "71",
    year = "2005",
    pages = "035105"
}

Cohen1988

Marvin L. Cohen, James R. Chelikowsky
Electronic Structure and Optical Properties of Semiconductors
Springer Berlin Heidelberg (1988)isbn: 9783642970825, 9783642970801
URL: https://doi.org/10.1007/978-3-642-97080-1
bibtex

×

bibtex

@book{Cohen1988,
    author = "Cohen, Marvin L. and Chelikowsky, James R.",
    title = "Electronic Structure and Optical Properties of Semiconductors",
    volume = "75",
    year = "1988",
    publisher = "Springer Berlin Heidelberg",
    isbn = "9783642970825, 9783642970801",
    source = "Crossref",
    issn = "0171-1873",
    doi = "10.1007/978-3-642-97080-1",
    url = "https://doi.org/10.1007/978-3-642-97080-1"
}

Cohen2000

Aron J Cohen, Nicholas C Handy
Assessment of exchange correlation functionals
Chemical Physics Letters 316, 160-166 (2000)
URL: http://dx.doi.org/10.1016/s0009-2614(99)01273-7
bibtex

×

bibtex

@article{Cohen2000,
    author = "Cohen, Aron J and Handy, Nicholas C",
    publisher = "Elsevier BV",
    doi = "10.1016/s0009-2614(99)01273-7",
    title = "Assessment of exchange correlation functionals",
    url = "http://dx.doi.org/10.1016/s0009-2614(99)01273-7",
    journal = "Chemical Physics Letters",
    issn = "0009-2614",
    number = "1-2",
    month = "January",
    volume = "316",
    source = "Crossref",
    year = "2000",
    pages = "160-166"
}

Cohen2001

Aron J. Cohen, Nicholas C. Handy
Dynamic correlation
Molecular Physics 99, 607-615 (2001)
URL: http://dx.doi.org/10.1080/00268970010023435
bibtex

×

bibtex

@article{Cohen2001,
    author = "Cohen, Aron J. and Handy, Nicholas C.",
    publisher = "Informa UK Limited",
    doi = "10.1080/00268970010023435",
    title = "Dynamic correlation",
    url = "http://dx.doi.org/10.1080/00268970010023435",
    journal = "Molecular Physics",
    issn = "0026-8976, 1362-3028",
    number = "7",
    month = "April",
    volume = "99",
    source = "Crossref",
    year = "2001",
    pages = "607-615"
}

Coleman2015

Piers Coleman
Introduction to Many-Body Physics
Cambridge University Press (2015)isbn: 9781139020916
URL: https://doi.org/10.1017/cbo9781139020916
bibtex

×

bibtex

@book{Coleman2015,
    author = "Coleman, Piers",
    doi = "10.1017/cbo9781139020916",
    publisher = "Cambridge University Press",
    source = "Crossref",
    title = "Introduction to Many-Body Physics",
    url = "https://doi.org/10.1017/cbo9781139020916",
    year = "2015",
    isbn = "9781139020916"
}

Colombo1991

L. Colombo, R. Resta, S. Baroni
Valence-band offsets at strained Si/Ge interfaces
Phys. Rev. B 44, 5572–5579 (1991)
URL: https://link.aps.org/doi/10.1103/PhysRevB.44.5572
bibtex

×

bibtex

@article{Colombo1991,
    author = "Colombo, L. and Resta, R. and Baroni, S.",
    title = "Valence-band offsets at strained Si/Ge interfaces",
    journal = "Phys. Rev. B",
    volume = "44",
    issue = "11",
    pages = "5572–5579",
    numpages = "0",
    year = "1991",
    month = "Sep",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.44.5572",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.44.5572"
}

Constantin2009

Lucian A. Constantin, Adrienn Ruzsinszky, John P. Perdew
Exchange-correlation energy functional based on the Airy-gas reference system
Phys. Rev. B 80, 035125 (2009)
URL: http://dx.doi.org/10.1103/physrevb.80.035125
bibtex

×

bibtex

@article{Constantin2009,
    author = "Constantin, Lucian A. and Ruzsinszky, Adrienn and Perdew, John P.",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.80.035125",
    title = "Exchange-correlation energy functional based on the Airy-gas reference system",
    url = "http://dx.doi.org/10.1103/physrevb.80.035125",
    journal = "Phys. Rev. B",
    issn = "1098-0121, 1550-235X",
    number = "3",
    month = "July",
    volume = "80",
    source = "Crossref",
    year = "2009",
    pages = "035125"
}

Constantin2011

Lucian A. Constantin, E. Fabiano, S. Laricchia, F. Della Sala
Semiclassical Neutral Atom as a Reference System in Density Functional Theory
Phys. Rev. Lett. 106, 186406 (2011)
URL: http://dx.doi.org/10.1103/physrevlett.106.186406
bibtex

×

bibtex

@article{Constantin2011,
    author = "Constantin, Lucian A. and Fabiano, E. and Laricchia, S. and Della Sala, F.",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevlett.106.186406",
    title = "Semiclassical Neutral Atom as a Reference System in Density Functional Theory",
    url = "http://dx.doi.org/10.1103/physrevlett.106.186406",
    journal = "Phys. Rev. Lett.",
    issn = "0031-9007, 1079-7114",
    number = "18",
    month = "May",
    volume = "106",
    source = "Crossref",
    year = "2011",
    pages = "186406"
}

Cooper2010

Valentino R. Cooper
Van der Waals density functional: An appropriate exchange functional
Phys. Rev. B 81, 161104 (2010)
URL: http://dx.doi.org/10.1103/physrevb.81.161104
bibtex

×

bibtex

@article{Cooper2010,
    author = "Cooper, Valentino R.",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.81.161104",
    title = "Van der {Waals} density functional: {An} appropriate exchange functional",
    url = "http://dx.doi.org/10.1103/physrevb.81.161104",
    journal = "Phys. Rev. B",
    issn = "1098-0121, 1550-235X",
    number = "16",
    month = "April",
    volume = "81",
    source = "Crossref",
    year = "2010",
    pages = "161104"
}

Cortona2012

Pietro Cortona
Note: Theoretical mixing coefficients for hybrid functionals
The Journal of Chemical Physics 136, 086101 (2012)
URL: http://dx.doi.org/10.1063/1.3690462
bibtex

×

bibtex

@article{Cortona2012,
    author = "Cortona, Pietro",
    publisher = "AIP Publishing",
    doi = "10.1063/1.3690462",
    title = "Note: {Theoretical} mixing coefficients for hybrid functionals",
    url = "http://dx.doi.org/10.1063/1.3690462",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "8",
    month = "February",
    volume = "136",
    source = "Crossref",
    year = "2012",
    pages = "086101"
}

Czyzyk1994

M. T. Czyżyk, G. A. Sawatzky
Local-density functional and on-site correlations: The electronic structure of La2CuO4 and LaCuO3
Phys. Rev. B 49, 14211-14228 (1994)
URL: https://doi.org/10.1103/physrevb.49.14211
bibtex

×

bibtex

@article{Czyzyk1994,
    author = "Czyżyk, M. T. and Sawatzky, G. A.",
    doi = "10.1103/physrevb.49.14211",
    issn = "0163-1829, 1095-3795",
    journal = "Phys. Rev. B",
    month = "May",
    number = "20",
    pages = "14211-14228",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Local-density functional and on-site correlations: The electronic structure of La2CuO4 and LaCuO3",
    url = "https://doi.org/10.1103/physrevb.49.14211",
    volume = "49",
    year = "1994"
}

Dahlke2005

Erin E. Dahlke, Donald G. Truhlar
Improved Density Functionals for Water
J. Phys. Chem. B 109, 15677-15683 (2005)
DOI: https://doi.org/10.1021/jp052436c
bibtex

×

bibtex

@article{Dahlke2005,
    author = "Dahlke, Erin E. and Truhlar, Donald G.",
    publisher = "American Chemical Society (ACS)",
    doi = "10.1021/jp052436c",
    title = "Improved Density Functionals for Water",
    journal = "J. Phys. Chem. B",
    issn = "1520-6106, 1520-5207",
    number = "33",
    month = "August",
    volume = "109",
    source = "Crossref",
    year = "2005",
    pages = "15677-15683"
}

Daubechies1992

Ingrid Daubechies
Ten Lectures on Wavelets
Society for Industrial and Applied Mathematics (1992)isbn: 9780898712742, 9781611970104
URL: https://doi.org/10.1137/1.9781611970104
bibtex

×

bibtex

@book{Daubechies1992,
    author = "Daubechies, Ingrid",
    title = "Ten Lectures on Wavelets",
    isbn = "9780898712742, 9781611970104",
    lccn = "lc92013201",
    series = "CBMS-NSF Regional Conference Series in Applied Mathematics",
    url = "https://doi.org/10.1137/1.9781611970104",
    year = "1992",
    publisher = "Society for Industrial and Applied Mathematics",
    doi = "10.1137/1.9781611970104",
    source = "Crossref",
    month = "January"
}

DeGironcoli1995

Stefano de Gironcoli
Lattice dynamics of metals from density-functional perturbation theory
Phys. Rev. B 51, 6773–6776 (1995)
URL: https://link.aps.org/doi/10.1103/PhysRevB.51.6773
bibtex

×

bibtex

@article{DeGironcoli1995,
    author = "de Gironcoli, Stefano",
    title = "Lattice dynamics of metals from density-functional perturbation theory",
    journal = "Phys. Rev. B",
    volume = "51",
    issue = "10",
    pages = "6773–6776",
    numpages = "0",
    year = "1995",
    month = "Mar",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.51.6773",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.51.6773"
}

DePristo1987

Andrew E. DePristo, Joel D. Kress
Rational function representation for accurate exchange energy functionals
The Journal of Chemical Physics 86, 1425-1428 (1987)
URL: http://dx.doi.org/10.1063/1.452230
bibtex

×

bibtex

@article{DePristo1987,
    author = "DePristo, Andrew E. and Kress, Joel D.",
    publisher = "AIP Publishing",
    doi = "10.1063/1.452230",
    title = "Rational function representation for accurate exchange energy functionals",
    url = "http://dx.doi.org/10.1063/1.452230",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "3",
    month = "February",
    volume = "86",
    source = "Crossref",
    year = "1987",
    pages = "1425-1428"
}

Dederichs1984

P. H. Dederichs, S. Bl"ugel, R. Zeller, H. Akai
Ground States of Constrained Systems: Application to Cerium Impurities
Phys. Rev. Lett. 53, 2512–2515 (1984)
URL: https://link.aps.org/doi/10.1103/PhysRevLett.53.2512
bibtex

×

bibtex

@article{Dederichs1984,
    author = {Dederichs, P. H. and Bl\"ugel, S. and Zeller, R. and Akai, H.},
    title = "Ground States of Constrained Systems: Application to Cerium Impurities",
    journal = "Phys. Rev. Lett.",
    volume = "53",
    issue = "26",
    pages = "2512–2515",
    numpages = "0",
    year = "1984",
    month = "Dec",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevLett.53.2512",
    url = "https://link.aps.org/doi/10.1103/PhysRevLett.53.2512"
}

Depondt2009

Ph Depondt, FG Mertens
Spin dynamics simulations of two-dimensional clusters with Heisenberg and dipole–dipole interactions
Journal of Physics: Condensed Matter 21, 336005 (2009)
bibtex

×

bibtex

@article{Depondt2009,
    author = "Depondt, Ph and Mertens, FG",
    title = "Spin dynamics simulations of two-dimensional clusters with Heisenberg and dipole–dipole interactions",
    journal = "Journal of Physics: Condensed Matter",
    volume = "21",
    number = "33",
    pages = "336005",
    year = "2009",
    publisher = "IOP Publishing"
}

Dewaele2008

Agnès Dewaele, Marc Torrent, Paul Loubeyre, Mohamed Mezouar
Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations
Phys. Rev. B 78, (2008)
URL: http://dx.doi.org/10.1103/physrevb.78.104102
bibtex

×

bibtex

@article{Dewaele2008,
    author = "Dewaele, Agnès and Torrent, Marc and Loubeyre, Paul and Mezouar, Mohamed",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.78.104102",
    title = "Compression curves of transition metals in the Mbar range: {Experiments} and projector augmented-wave calculations",
    url = "http://dx.doi.org/10.1103/physrevb.78.104102",
    journal = "Phys. Rev. B",
    issn = "1098-0121, 1550-235X",
    number = "10",
    month = "September",
    volume = "78",
    source = "Crossref",
    year = "2008"
}

Dion2004

M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, B. I. Lundqvist
Van der Waals Density Functional for General Geometries
Phys. Rev. Lett. 92, 246401 (2004)
URL: https://doi.org/10.1103/physrevlett.92.246401
bibtex

×

bibtex

@article{Dion2004,
    author = "Dion, M. and Rydberg, H. and Schröder, E. and Langreth, D. C. and Lundqvist, B. I.",
    doi = "10.1103/physrevlett.92.246401",
    issn = "0031-9007, 1079-7114",
    journal = "Phys. Rev. Lett.",
    month = "June",
    number = "24",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Van der Waals Density Functional for General Geometries",
    url = "https://doi.org/10.1103/physrevlett.92.246401",
    volume = "92",
    year = "2004",
    pages = "246401"
}

Dirac1930

P. A. M. Dirac
Note on Exchange Phenomena in the Thomas Atom
Math. Proc. Camb. Phil. Soc. 26, 376 (1930)
URL: http://dx.doi.org/10.1017/s0305004100016108
bibtex

×

bibtex

@article{Dirac1930,
    author = "Dirac, P. A. M.",
    publisher = "Cambridge University Press (CUP)",
    doi = "10.1017/s0305004100016108",
    title = "Note on Exchange Phenomena in the {Thomas} Atom",
    url = "http://dx.doi.org/10.1017/s0305004100016108",
    journal = "Math. Proc. Camb. Phil. Soc.",
    issn = "0305-0041, 1469-8064",
    number = "03",
    month = "July",
    volume = "26",
    source = "Crossref",
    year = "1930",
    pages = "376"
}

Djani2012

Hania Djani, Eric Bousquet, Abdelhafid Kellou, Philippe Ghosez
First-principles study of the ferroelectric Aurivillius phase Bi$_2$WO$_6$
Phys. Rev. B 86, 054107 (2012)
URL: http://dx.doi.org/10.1103/physrevb.86.054107
bibtex

×

bibtex

@article{Djani2012,
    author = "Djani, Hania and Bousquet, Eric and Kellou, Abdelhafid and Ghosez, Philippe",
    doi = "10.1103/physrevb.86.054107",
    number = "5",
    source = "Crossref",
    url = "http://dx.doi.org/10.1103/physrevb.86.054107",
    volume = "86",
    journal = "Phys. Rev. B",
    publisher = "American Physical Society (APS)",
    title = "First-principles study of the ferroelectric Aurivillius phase Bi$\_2$WO$\_6$",
    issn = "1098-0121, 1550-235X",
    year = "2012",
    month = "August",
    pages = "054107"
}

Dobson2000

John F. Dobson, Jun Wang
Energy-optimized local exchange-correlation kernel for the electron gas: Application to van der Waals forces
Phys. Rev. B 62, 10038–10045 (2000)
URL: https://link.aps.org/doi/10.1103/PhysRevB.62.10038
bibtex

×

bibtex

@article{Dobson2000,
    author = "Dobson, John F. and Wang, Jun",
    title = "Energy-optimized local exchange-correlation kernel for the electron gas: Application to van der Waals forces",
    journal = "Phys. Rev. B",
    volume = "62",
    issue = "15",
    pages = "10038–10045",
    numpages = "0",
    year = "2000",
    month = "Oct",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.62.10038",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.62.10038"
}

Dolg2005

Michael Dolg
Improved relativistic energy-consistent pseudopotentials for 3d-transition metals
Theoretical Chemistry Accounts 114, 297–304 (2005)
URL: https://doi.org/10.1007/s00214-005-0679-3
bibtex

×

bibtex

@article{Dolg2005,
    author = "Dolg, Michael",
    title = "Improved relativistic energy-consistent pseudopotentials for 3d-transition metals",
    journal = "Theoretical Chemistry Accounts",
    year = "2005",
    month = "Oct",
    volume = "114",
    number = "4",
    pages = "297–304",
    doi = "10.1007/s00214-005-0679-3",
    url = "https://doi.org/10.1007/s00214-005-0679-3"
}

Draxl2006

Claudia Ambrosch-Draxl, Jorge O. Sofo
Linear optical properties of solids within the full-potential linearized augmented planewave method
Comput. Phys. Commun. 175, 1-14 (2006)
URL: http://dx.doi.org/10.1016/j.cpc.2006.03.005
bibtex

×

bibtex

@article{Draxl2006,
    author = "Ambrosch-Draxl, Claudia and Sofo, Jorge O.",
    doi = "10.1016/j.cpc.2006.03.005",
    number = "1",
    pages = "1-14",
    source = "Crossref",
    url = "http://dx.doi.org/10.1016/j.cpc.2006.03.005",
    volume = "175",
    journal = "Comput. Phys. Commun.",
    publisher = "Elsevier BV",
    title = "Linear optical properties of solids within the full-potential linearized augmented planewave method",
    issn = "0010-4655",
    year = "2006",
    month = "July"
}

Duane1987

S. Duane, A.D. Kennedy, B. J. Pendleton, D. Roweth
Hybrid Monte Carlo
Phys. Lett. B 195, 216 (1987)
URL: https://doi.org/10.1016/0370-2693(87)91197-X
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@article{Euwema1969,
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@article{Evans2014,
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@article{Filatov1997,
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G P Francis, M C Payne
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@article{Francis1990,
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Raymond Frésard, Gabriel Kotliar
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@article{Fresard1997,
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@article{GaalNagy2006,
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@article{Gajdo2006,
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Geneste2016

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@article{Genovese2008,
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Luigi Genovese, Matthieu Ospici, Thierry Deutsch, Jean-François Méhaut, Alexey Neelov, Stefan Goedecker
Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures
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@article{Georges1996,
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@inproceedings{Georges2004,
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@article{Gervais1975,
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@article{Ghosez1996,
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@article{Ghosez1998,
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@article{Ghosez2000,
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@article{Giannozzi1991,
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@article{Giannozzi2009,
    author = "Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and Dal Corso, Andrea and de Gironcoli, Stefano and Fabris, Stefano and Fratesi, Guido and Gebauer, Ralph and Gerstmann, Uwe and Gougoussis, Christos and Kokalj, Anton and Lazzeri, Michele and Martin-Samos, Layla and Marzari, Nicola and Mauri, Francesco and Mazzarello, Riccardo and Paolini, Stefano and Pasquarello, Alfredo and Paulatto, Lorenzo and Sbraccia, Carlo and Scandolo, Sandro and Sclauzero, Gabriele and Seitsonen, Ari P and Smogunov, Alexander and Umari, Paolo and Wentzcovitch, Renata M",
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    pages = "395502",
    publisher = "IOP Publishing",
    source = "Crossref",
    title = "{QUANTUM} {ESPRESSO:} {A} modular and open-source software project for quantum simulations of materials",
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M. Giantomassi, M. Stankovski, R. Shaltaf, M. Grüning, F. Bruneval, P. Rinke, G.-M. Rignanese
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@article{Giantomassi2011,
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@article{Gilgien1994,
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Peter M. W. Gill
A new gradient-corrected exchange functional
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@article{Gill1996,
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Gillet2013

Yannick Gillet, Matteo Giantomassi, Xavier Gonze
First-principles study of excitonic effects in Raman intensities
Phys. Rev. B 88, 094305 (2013)
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@article{Gillet2013,
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Gillet2016

Yannick Gillet, Matteo Giantomassi, Xavier Gonze
Efficient on-the-fly interpolation technique for Bethe–Salpeter calculations of optical spectra
Comput. Phys. Commun. 203, 83-93 (2016)
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@article{Gillet2016,
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Gillet2017

Yannick Gillet, Stefan Kontur, Matteo Giantomassi, Claudia Draxl, Xavier Gonze
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction
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@article{Gillet2017,
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@article{Giustino2007,
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@article{Giustino2017,
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@article{Godby1989,
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@article{Goedecker1996,
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@book{Gombas1967,
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X. Gonze, J.-P. Vigneron
Density-functional approach to nonlinear-response coefficients of solids
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@article{Gonze1989,
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X. Gonze, J.-P. Michenaud, J.-P. Vigneron
First-principles study of As, Sb, and Bi electronic properties
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@article{Gonze1990,
    author = "Gonze, X. and Michenaud, J.-P. and Vigneron, J.-P.",
    title = "First-principles study of As, Sb, and Bi electronic properties",
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Gonze1990a

Xavier Gonze, Peter K"ackell, Matthias Scheffler
Ghost states for separable, norm-conserving, ab initio pseudopotentials
Phys. Rev. B 41, 12264–12267 (1990)
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@article{Gonze1990a,
    author = {Gonze, Xavier and K\"ackell, Peter and Scheffler, Matthias},
    title = "Ghost states for separable, norm-conserving, ab initio pseudopotentials",
    journal = "Phys. Rev. B",
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    doi = "10.1103/PhysRevB.41.12264",
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Gonze1991

Xavier Gonze, Roland Stumpf, Matthias Scheffler
Analysis of separable potentials
Phys. Rev. B 44, 8503-8513 (1991)
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@article{Gonze1991,
    author = "Gonze, Xavier and Stumpf, Roland and Scheffler, Matthias",
    doi = "10.1103/physrevb.44.8503",
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    title = "Analysis of separable potentials",
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    year = "1991"
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Gonze1995

Xavier Gonze
Adiabatic density-functional perturbation theory
Phys. Rev. A 52, 1096-1114 (1995)
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@article{Gonze1995,
    author = "Gonze, Xavier",
    doi = "10.1103/physreva.52.1096",
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    journal = "Phys. Rev. A",
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    title = "Adiabatic density-functional perturbation theory",
    url = "https://doi.org/10.1103/physreva.52.1096",
    volume = "52",
    year = "1995"
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Gonze1995a

X. Gonze, Ph. Ghosez, R. W. Godby
Density-Polarization Functional Theory of the Response of a Periodic Insulating Solid to an Electric Field
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@article{Gonze1995a,
    author = "Gonze, X. and Ghosez, Ph. and Godby, R. W.",
    journal = "Phys. Rev. Lett.",
    pages = "4035-4038",
    title = "Density-Polarization Functional Theory of the Response of a Periodic Insulating Solid to an Electric Field",
    url = "https://doi.org/10.1103/physrevlett.74.4035",
    volume = "74",
    year = "1995",
    doi = "10.1103/physrevlett.74.4035",
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    source = "Crossref",
    publisher = "American Physical Society (APS)",
    issn = "0031-9007, 1079-7114",
    month = "May"
}

Gonze1996

Xavier Gonze
Towards a potential-based conjugate gradient algorithm for order-N self-consistent total energy calculations
Phys. Rev. B 54, 4383–4386 (1996)
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@article{Gonze1996,
    author = "Gonze, Xavier",
    title = "Towards a potential-based conjugate gradient algorithm for order-N self-consistent total energy calculations",
    journal = "Phys. Rev. B",
    volume = "54",
    issue = "7",
    pages = "4383–4386",
    numpages = "0",
    year = "1996",
    month = "Aug",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.54.4383",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.54.4383"
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Gonze1997

Xavier Gonze
First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm
Phys. Rev. B 55, 10337-10354 (1997)
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@article{Gonze1997,
    author = "Gonze, Xavier",
    doi = "10.1103/physrevb.55.10337",
    issn = "0163-1829, 1095-3795",
    journal = "Phys. Rev. B",
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    pages = "10337-10354",
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    title = "First-principles responses of solids to atomic displacements and homogeneous electric fields: {Implementation} of a conjugate-gradient algorithm",
    url = "https://doi.org/10.1103/physrevb.55.10337",
    volume = "55",
    year = "1997"
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Gonze1997a

Xavier Gonze, Changyol Lee
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
Phys. Rev. B 55, 10355-10368 (1997)
URL: https://doi.org/10.1103/physrevb.55.10355
bibtex

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bibtex

@article{Gonze1997a,
    author = "Gonze, Xavier and Lee, Changyol",
    doi = "10.1103/physrevb.55.10355",
    issn = "0163-1829, 1095-3795",
    journal = "Phys. Rev. B",
    month = "April",
    number = "16",
    pages = "10355-10368",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory",
    url = "https://doi.org/10.1103/physrevb.55.10355",
    volume = "55",
    year = "1997"
}

Gonze2002

X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan
First-principles computation of material properties: The ABINIT software project
Computational Materials Science 25, 478-492 (2002)
URL: https://doi.org/10.1016/s0927-0256(02)00325-7
bibtex

×

bibtex

@article{Gonze2002,
    author = "Gonze, X. and Beuken, J.-M. and Caracas, R. and Detraux, F. and Fuchs, M. and Rignanese, G.-M. and Sindic, L. and Verstraete, M. and Zerah, G. and Jollet, F. and Torrent, M. and Roy, A. and Mikami, M. and Ghosez, Ph. and Raty, J.-Y. and Allan, D.C.",
    doi = "10.1016/s0927-0256(02)00325-7",
    issn = "0927-0256",
    journal = "Computational Materials Science",
    month = "November",
    number = "3",
    pages = "478-492",
    publisher = "Elsevier BV",
    source = "Crossref",
    title = "First-principles computation of material properties: {The} {ABINIT} software project",
    url = "https://doi.org/10.1016/s0927-0256(02)00325-7",
    volume = "25",
    year = "2002"
}

Gonze2005

X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D.R. Hamann D.C. Allan
A brief introduction to the ABINIT software package
Zeitschrift für Kristallographie - Crystalline Materials 220, 558-562 (2005)
DOI: https://doi.org/10.1524/zkri.220.5.558.65066
bibtex

×

bibtex

@article{Gonze2005,
    author = "Gonze, X. and Rignanese, G.-M. and Verstraete, M. and Beuken, J.-M. and Pouillon, Y. and Caracas, R. and Jollet, F. and Torrent, M. and Zerah, G. and Mikami, M. and Ghosez, Ph. and Veithen, M. and Raty, J.-Y. and Olevano, V. and Bruneval, F. and Reining, L. and Godby, R. and Onida, G. and D.C. Allan, D.R. Hamann",
    doi = "10.1524/zkri.220.5.558.65066",
    issn = "2196-7105, 2194-4946",
    journal = "Zeitschrift für Kristallographie - Crystalline Materials",
    month = "January",
    number = "⅚",
    pages = "558-562",
    publisher = "Walter de Gruyter GmbH",
    source = "Crossref",
    title = "A brief introduction to the {ABINIT} software package",
    volume = "220",
    year = "2005"
}

Gonze2008

X. Gonze, C.-O. Almbladh, A. Cucca, D. Caliste, C. Freysoldt, M.A.L. Marques, V. Olevano, Y. Pouillon, M.J. Verstraete
Specification of an extensible and portable file format for electronic structure and crystallographic data
Computational Materials Science 43, 1056-1065 (2008)
URL: http://dx.doi.org/10.1016/j.commatsci.2008.02.023
bibtex

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bibtex

@article{Gonze2008,
    author = "Gonze, X. and Almbladh, C.-O. and Cucca, A. and Caliste, D. and Freysoldt, C. and Marques, M.A.L. and Olevano, V. and Pouillon, Y. and Verstraete, M.J.",
    doi = "10.1016/j.commatsci.2008.02.023",
    number = "4",
    pages = "1056-1065",
    source = "Crossref",
    url = "http://dx.doi.org/10.1016/j.commatsci.2008.02.023",
    volume = "43",
    journal = "Computational Materials Science",
    publisher = "Elsevier BV",
    title = "Specification of an extensible and portable file format for electronic structure and crystallographic data",
    issn = "0927-0256",
    year = "2008",
    month = "October"
}

Gonze2009

X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Côté, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M.J. Verstraete, G. Zerah, J.W. Zwanziger
ABINIT: First-principles approach to material and nanosystem properties
Comput. Phys. Commun. 180, 2582-2615 (2009)
URL: https://doi.org/10.1016/j.cpc.2009.07.007
bibtex

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bibtex

@article{Gonze2009,
    author = "Gonze, X. and Amadon, B. and Anglade, P.-M. and Beuken, J.-M. and Bottin, F. and Boulanger, P. and Bruneval, F. and Caliste, D. and Caracas, R. and Côté, M. and Deutsch, T. and Genovese, L. and Ghosez, Ph. and Giantomassi, M. and Goedecker, S. and Hamann, D.R. and Hermet, P. and Jollet, F. and Jomard, G. and Leroux, S. and Mancini, M. and Mazevet, S. and Oliveira, M.J.T. and Onida, G. and Pouillon, Y. and Rangel, T. and Rignanese, G.-M. and Sangalli, D. and Shaltaf, R. and Torrent, M. and Verstraete, M.J. and Zerah, G. and Zwanziger, J.W.",
    doi = "10.1016/j.cpc.2009.07.007",
    issn = "0010-4655",
    journal = "Comput. Phys. Commun.",
    month = "December",
    number = "12",
    pages = "2582-2615",
    publisher = "Elsevier BV",
    source = "Crossref",
    title = "{ABINIT:} {{First}-principles} approach to material and nanosystem properties",
    url = "https://doi.org/10.1016/j.cpc.2009.07.007",
    volume = "180",
    year = "2009"
}

Gonze2011

X. Gonze, P. Boulanger, M. Côté
Theoretical approaches to the temperature and zero-point motion effects on the electronic band structure
Ann. Phys. 523, 168-178 (2010)
URL: https://doi.org/10.1002/andp.201000100
bibtex

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bibtex

@article{Gonze2011,
    author = "Gonze, X. and Boulanger, P. and Côté, M.",
    doi = "10.1002/andp.201000100",
    issn = "0003-3804",
    journal = "Ann. Phys.",
    month = "November",
    number = "1-2",
    pages = "168-178",
    publisher = "Wiley-Blackwell",
    source = "Crossref",
    title = "Theoretical approaches to the temperature and zero-point motion effects on the electronic band structure",
    url = "https://doi.org/10.1002/andp.201000100",
    volume = "523",
    year = "2010"
}

Gonze2011a

X. Gonze, J. W. Zwanziger
Density-operator theory of orbital magnetic susceptibility in periodic insulators
Phys. Rev. B 84, 064445 (2011)
URL: https://link.aps.org/doi/10.1103/PhysRevB.84.064445
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bibtex

@article{Gonze2011a,
    author = "Gonze, X. and Zwanziger, J. W.",
    title = "Density-operator theory of orbital magnetic susceptibility in periodic insulators",
    journal = "Phys. Rev. B",
    volume = "84",
    issue = "6",
    pages = "064445",
    numpages = "5",
    year = "2011",
    month = "Aug",
    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.84.064445",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.84.064445"
}

Gonze2016

X. Gonze, F. Jollet, F. Abreu Araujo, D. Adams, B. Amadon, T. Applencourt, C. Audouze, J.-M. Beuken, J. Bieder, A. Bokhanchuk, E. Bousquet, F. Bruneval, D. Caliste, M. Côté, F. Dahm, F. Da Pieve, M. Delaveau, M. Di Gennaro, B. Dorado, C. Espejo, G. Geneste, L. Genovese, A. Gerossier, M. Giantomassi, Y. Gillet, D.R. Hamann, L. He, G. Jomard, J. Laflamme Janssen, S. Le Roux, A. Levitt, A. Lherbier, F. Liu, I. Lukačević, A. Martin, C. Martins, M.J.T. Oliveira, S. Poncé, Y. Pouillon, T. Rangel, G.-M. Rignanese, A.H. Romero, B. Rousseau, O. Rubel, A.A. Shukri, M. Stankovski, M. Torrent, M.J. Van Setten, B. Van Troeye, M.J. Verstraete, D. Waroquiers, J. Wiktor, B. Xu, A. Zhou, J.W. Zwanziger
Recent developments in the ABINIT software package
Comput. Phys. Commun. 205, 106-131 (2016)
URL: https://doi.org/10.1016/j.cpc.2016.04.003
bibtex

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bibtex

@article{Gonze2016,
    author = "Gonze, X. and Jollet, F. and Abreu Araujo, F. and Adams, D. and Amadon, B. and Applencourt, T. and Audouze, C. and Beuken, J.-M. and Bieder, J. and Bokhanchuk, A. and Bousquet, E. and Bruneval, F. and Caliste, D. and Côté, M. and Dahm, F. and Da Pieve, F. and Delaveau, M. and Di Gennaro, M. and Dorado, B. and Espejo, C. and Geneste, G. and Genovese, L. and Gerossier, A. and Giantomassi, M. and Gillet, Y. and Hamann, D.R. and He, L. and Jomard, G. and Laflamme Janssen, J. and Le Roux, S. and Levitt, A. and Lherbier, A. and Liu, F. and Lukačević, I. and Martin, A. and Martins, C. and Oliveira, M.J.T. and Poncé, S. and Pouillon, Y. and Rangel, T. and Rignanese, G.-M. and Romero, A.H. and Rousseau, B. and Rubel, O. and Shukri, A.A. and Stankovski, M. and Torrent, M. and Van Setten, M.J. and Van Troeye, B. and Verstraete, M.J. and Waroquiers, D. and Wiktor, J. and Xu, B. and Zhou, A. and Zwanziger, J.W.",
    doi = "10.1016/j.cpc.2016.04.003",
    issn = "0010-4655",
    journal = "Comput. Phys. Commun.",
    month = "August",
    pages = "106-131",
    publisher = "Elsevier BV",
    source = "Crossref",
    title = "Recent developments in the {ABINIT} software package",
    url = "https://doi.org/10.1016/j.cpc.2016.04.003",
    volume = "205",
    year = "2016"
}

Gonze2020

Xavier Gonze, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Nils Brouwer, Fabien Bruneval, Guillaume Brunin, Théo Cavignac, Jean-Baptiste Charraud, Wei Chen, Michel Côté, Stefaan Cottenier, Jules Denier, Grégory Geneste, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R. Hamann, Geoffroy Hautier, Xu He, Nicole Helbig, Natalie Holzwarth, Yongchao Jia, François Jollet, William Lafargue-Dit-Hauret, Kurt Lejaeghere, Miguel A. L. Marques, Alexandre Martin, Cyril Martins, Henrique P. C. Miranda, Francesco Naccarato, Kristin Persson, Guido Petretto, Valentin Planes, Yann Pouillon, Sergei Prokhorenko, Fabio Ricci, Gian-Marco Rignanese, Aldo H. Romero, Michael Marcus Schmitt, Marc Torrent, Michiel J. van Setten, Benoit Van Troeye, Matthieu J. Verstraete, Gilles Zérah, Josef W. Zwanziger
The Abinit project: Impact, environment and recent developments
Comput. Phys. Commun. 248, 107042 (2020)
URL: https://doi.org/10.1016/j.cpc.2019.107042
bibtex

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bibtex

@article{Gonze2020,
    Author = "Gonze, Xavier and Amadon, Bernard and Antonius, Gabriel and Arnardi, Frédéric and Baguet, Lucas and Beuken, Jean-Michel and Bieder, Jordan and Bottin, François and Bouchet, Johann and Bousquet, Eric and Brouwer, Nils and Bruneval, Fabien and Brunin, Guillaume and Cavignac, Théo and Charraud, Jean-Baptiste and Chen, Wei and Côté, Michel and Cottenier, Stefaan and Denier, Jules and Geneste, Grégory and Ghosez, Philippe and Giantomassi, Matteo and Gillet, Yannick and Gingras, Olivier and Hamann, Donald R. and Hautier, Geoffroy and He, Xu and Helbig, Nicole and Holzwarth, Natalie and Jia, Yongchao and Jollet, François and Lafargue-Dit-Hauret, William and Lejaeghere, Kurt and Marques, Miguel A. L. and Martin, Alexandre and Martins, Cyril and Miranda, Henrique P. C. and Naccarato, Francesco and Persson, Kristin and Petretto, Guido and Planes, Valentin and Pouillon, Yann and Prokhorenko, Sergei and Ricci, Fabio and Rignanese, Gian-Marco and Romero, Aldo H. and Schmitt, Michael Marcus and Torrent, Marc and van Setten, Michiel J. and Troeye, Benoit Van and Verstraete, Matthieu J. and Zérah, Gilles and Zwanziger, Josef W.",
    Journal = "Comput. Phys. Commun.",
    Pages = "107042",
    Title = "The Abinit project: Impact, environment and recent developments",
    Volume = "248",
    Year = "2020",
    url = "https://doi.org/10.1016/j.cpc.2019.107042"
}

Goodrow2009

A. Goodrow, A. T. Bell, M. Head-Gordon
Transition state-finding strategies for use with the growing string method
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@article{Goodrow2009,
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Greenwood1971

N. N. Greenwood, T. C. Gibb
M"ossbauer Spectroscopy
Springer Netherlands (1971)isbn: 9789400956995, 9789400956971
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@book{Greenwood1971,
    author = "Greenwood, N. N. and Gibb, T. C.",
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Grimme2006

Stefan Grimme
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
J. Comput. Chem. 27, 1787-1799 (2006)
URL: https://doi.org/10.1002/jcc.20495
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@article{Grimme2006,
    author = "Grimme, Stefan",
    doi = "10.1002/jcc.20495",
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    year = "2006"
}

Grimme2010

Stefan Grimme, Jens Antony, Stephan Ehrlich, Helge Krieg
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
The Journal of Chemical Physics 132, 154104 (2010)
URL: https://doi.org/10.1063/1.3382344
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@article{Grimme2010,
    author = "Grimme, Stefan and Antony, Jens and Ehrlich, Stephan and Krieg, Helge",
    doi = "10.1063/1.3382344",
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    journal = "The Journal of Chemical Physics",
    month = "April",
    number = "15",
    pages = "154104",
    publisher = "AIP Publishing",
    source = "Crossref",
    title = "A consistent and accurate ab initio parametrization of density functional dispersion correction {(DFT}-D) for the 94 elements H-Pu",
    url = "https://doi.org/10.1063/1.3382344",
    volume = "132",
    year = "2010"
}

Grimme2011

Stefan Grimme, Stephan Ehrlich, Lars Goerigk
Effect of the damping function in dispersion corrected density functional theory
J. Comput. Chem. 32, 1456-1465 (2011)
URL: https://doi.org/10.1002/jcc.21759
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@article{Grimme2011,
    author = "Grimme, Stefan and Ehrlich, Stephan and Goerigk, Lars",
    doi = "10.1002/jcc.21759",
    issn = "0192-8651",
    journal = "J. Comput. Chem.",
    month = "March",
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    publisher = "Wiley-Blackwell",
    source = "Crossref",
    title = "Effect of the damping function in dispersion corrected density functional theory",
    url = "https://doi.org/10.1002/jcc.21759",
    volume = "32",
    year = "2011"
}

Grimvall1981

G. Grimvall
The electron-phonon interaction in metals
North-Holland Pub. Co. : sole distributors for the U.S.A. and Canada, Elsevier North-Holland (1981)isbn: 9780444861054
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@book{Grimvall1981,
    author = "Grimvall, G.",
    title = "The electron-phonon interaction in metals",
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    url = "https://books.google.be/books?id=CkR9AAAAIAAJ",
    year = "1981",
    publisher = "North-Holland Pub. Co. : sole distributors for the U.S.A. and Canada, Elsevier North-Holland"
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Gruning2009

Myrta Grüning, Andrea Marini, Xavier Gonze
Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm−Dancoff Approximation
Nano Lett. 9, 2820-2824 (2009)
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@article{Gruning2009,
    author = "Grüning, Myrta and Marini, Andrea and Gonze, Xavier",
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    journal = "Nano Lett.",
    month = "August",
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    publisher = "American Chemical Society (ACS)",
    source = "Crossref",
    title = "Exciton-Plasmon States in Nanoscale Materials: {Breakdown} of the {Tamm−Dancoff} Approximation",
    url = "https://doi.org/10.1021/nl803717g",
    volume = "9",
    year = "2009"
}

Guido2013

Ciro A. Guido, Eric Brémond, Carlo Adamo, Pietro Cortona
Communication: One third: A new recipe for the PBE0 paradigm
The Journal of Chemical Physics 138, 021104 (2013)
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@article{Guido2013,
    author = "Guido, Ciro A. and Brémond, Eric and Adamo, Carlo and Cortona, Pietro",
    publisher = "AIP Publishing",
    doi = "10.1063/1.4775591",
    title = "Communication: {One} third: {A} new recipe for the {PBE0} paradigm",
    url = "http://dx.doi.org/10.1063/1.4775591",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "2",
    month = "January",
    volume = "138",
    source = "Crossref",
    year = "2013",
    pages = "021104"
}

Gull2011

Emanuel Gull, Andrew J. Millis, Alexander I. Lichtenstein, Alexey N. Rubtsov, Matthias Troyer, Philipp Werner
Continuous-time Monte Carlo methods for quantum impurity models
Rev. Mod. Phys. 83, 349-404 (2011)
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@article{Gull2011,
    author = "Gull, Emanuel and Millis, Andrew J. and Lichtenstein, Alexander I. and Rubtsov, Alexey N. and Troyer, Matthias and Werner, Philipp",
    doi = "10.1103/revmodphys.83.349",
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    journal = "Rev. Mod. Phys.",
    month = "May",
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    pages = "349-404",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Continuous-time Monte Carlo methods for quantum impurity models",
    url = "https://doi.org/10.1103/revmodphys.83.349",
    volume = "83",
    year = "2011"
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Gunnarsson1976

O. Gunnarsson, B. I. Lundqvist
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
Phys. Rev. B 13, 4274-4298 (1976)
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@article{Gunnarsson1976,
    author = "Gunnarsson, O. and Lundqvist, B. I.",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.13.4274",
    title = "Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism",
    url = "http://dx.doi.org/10.1103/physrevb.13.4274",
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Gygi1986

F. Gygi, A. Baldereschi
Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon
Phys. Rev. B 34, 4405–4408 (1986)
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@article{Gygi1986,
    author = "Gygi, F. and Baldereschi, A.",
    title = "Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon",
    journal = "Phys. Rev. B",
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    publisher = "American Physical Society",
    doi = "10.1103/PhysRevB.34.4405",
    url = "https://link.aps.org/doi/10.1103/PhysRevB.34.4405"
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Haas2011

Philipp Haas, Fabien Tran, Peter Blaha, Karlheinz Schwarz
Construction of an optimal GGA functional for molecules and solids
Phys. Rev. B 83, 205117 (2011)
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@article{Haas2011,
    author = "Haas, Philipp and Tran, Fabien and Blaha, Peter and Schwarz, Karlheinz",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.83.205117",
    title = "Construction of an optimal {GGA} functional for molecules and solids",
    url = "http://dx.doi.org/10.1103/physrevb.83.205117",
    journal = "Phys. Rev. B",
    issn = "1098-0121, 1550-235X",
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    month = "May",
    volume = "83",
    source = "Crossref",
    year = "2011",
    pages = "205117"
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Hahn1983

T. Hahn
International tables for ctystallography
D. Reidel Publushing Company (1983)
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@book{Hahn1983,
    author = "Hahn, T.",
    publisher = "D. Reidel Publushing Company",
    title = "International tables for ctystallography",
    year = "1983"
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Hairer2003

E. Hairer, C. Lubich, G. Wanner
Geometric numerical integration illustrated by the Stomer-Verlet Method
Acta Numerica 12, 399-450 (2003)
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@article{Hamann1979,
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Hamann1989

D. R. Hamann
Generalized norm-conserving pseudopotentials
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@article{Hamann1989,
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Hamann2005

D. R. Hamann, Xifan Wu, Karin M. Rabe, David Vanderbilt
Metric tensor formulation of strain in density-functional perturbation theory
Phys. Rev. B 71, 035117 (2005)
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@article{Hamann2005,
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Hamann2009

D. R. Hamann, David Vanderbilt
Maximally localized Wannier functions for GW quasiparticles
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@article{Hamann2009,
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D. R. Hamann
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@article{Hamann2013,
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Hammer1999

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@article{Hammer1999,
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@article{Henkelman2000a,
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Heyd2006

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof
Erratum: hybrid functionals based on a screened Coulomb potential - J. Chem. Phys. 118, 8207 (2003)
The Journal of Chemical Physics 124, 219906 (2006)
URL: http://dx.doi.org/10.1063/1.2204597
bibtex

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bibtex

@article{Heyd2006,
    author = "Heyd, Jochen and Scuseria, Gustavo E. and Ernzerhof, Matthias",
    publisher = "AIP Publishing",
    doi = "10.1063/1.2204597",
    title = "Erratum: hybrid functionals based on a screened Coulomb potential - J. Chem. Phys. 118, 8207 (2003)",
    url = "http://dx.doi.org/10.1063/1.2204597",
    journal = "The Journal of Chemical Physics",
    issn = "0021-9606, 1089-7690",
    number = "21",
    month = "June",
    volume = "124",
    source = "Crossref",
    year = "2006",
    pages = "219906"
}

Hobbs2000

D. Hobbs, G. Kresse, J. Hafner
Fully unconstrained noncollinear magnetism within the projector augmented-wave method
Phys. Rev. B 62, 11556-11570 (2000)
URL: http://dx.doi.org/10.1103/physrevb.62.11556
bibtex

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bibtex

@article{Hobbs2000,
    author = "Hobbs, D. and Kresse, G. and Hafner, J.",
    doi = "10.1103/physrevb.62.11556",
    number = "17",
    pages = "11556-11570",
    source = "Crossref",
    url = "http://dx.doi.org/10.1103/physrevb.62.11556",
    volume = "62",
    journal = "Phys. Rev. B",
    publisher = "American Physical Society (APS)",
    title = "Fully unconstrained noncollinear magnetism within the projector augmented-wave method",
    issn = "0163-1829, 1095-3795",
    year = "2000",
    month = "November"
}

Hohenberg1964

P. Hohenberg, W. Kohn
Inhomogeneous Electron Gas
Phys. Rev. 136, B864-B871 (1964)
URL: https://doi.org/10.1103/physrev.136.b864
bibtex

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bibtex

@article{Hohenberg1964,
    author = "Hohenberg, P. and Kohn, W.",
    doi = "10.1103/physrev.136.b864",
    issn = "0031-899X",
    journal = "Phys. Rev.",
    month = "November",
    number = "3B",
    pages = "B864-B871",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    title = "Inhomogeneous Electron Gas",
    url = "https://doi.org/10.1103/physrev.136.b864",
    volume = "136",
    year = "1964"
}

Holzwarth1997

N. A. W. Holzwarth, G. E. Matthews, R. B. Dunning, A. R. Tackett, Y. Zeng
Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids
Phys. Rev. B 55, 2005-2017 (1997)
URL: http://dx.doi.org/10.1103/physrevb.55.2005
bibtex

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bibtex

@article{Holzwarth1997,
    author = "Holzwarth, N. A. W. and Matthews, G. E. and Dunning, R. B. and Tackett, A. R. and Zeng, Y.",
    publisher = "American Physical Society (APS)",
    doi = "10.1103/physrevb.55.2005",
    title = "Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids",
    url = "http://dx.doi.org/10.1103/physrevb.55.2005",
    journal = "Phys. Rev. B",
    issn = "0163-1829, 1095-3795",
    number = "4",
    month = "January",
    volume = "55",
    source = "Crossref",
    year = "1997",
    pages = "2005-2017"
}

Holzwarth2001

N.A.W. Holzwarth, A.R. Tackett, G.E. Matthews
A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: Atompaw for generating atom-centered functions
Comput. Phys. Commun. 135, 329-347 (2001)
URL: https://doi.org/10.1016/s0010-4655(00)00244-7
bibtex

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bibtex

@article{Holzwarth2001,
    author = "Holzwarth, N.A.W. and Tackett, A.R. and Matthews, G.E.",
    doi = "10.1016/s0010-4655(00)00244-7",
    issn = "0010-4655",
    journal = "Comput. Phys. Commun.",
    month = "April",
    number = "3",
    pages = "329-347",
    publisher = "Elsevier BV",
    source = "Crossref",
    title = "A Projector Augmented Wave {(PAW)} code for electronic structure calculations, Part I: {Atompaw} for generating atom-centered functions",
    url = "https://doi.org/10.1016/s0010-4655(00)00244-7",
    volume = "135",
    year = "2001"
}

Honma1977

Akio Honma
Dipolar Lattice-Sums with Applications to the Exciton Bands of Anthracene Crystal and the Crystal Field due to Point Charges
Journal of the Physical Society of Japan 42, 1129-1135 (1977)
URL: https://doi.org/10.1143/JPSJ.42.1129
bibtex

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bibtex

@article{Honma1977,
    author = "Honma, Akio",
    title = "Dipolar Lattice-Sums with Applications to the Exciton Bands of Anthracene Crystal and the Crystal Field due to Point Charges",
    journal = "Journal of the Physical Society of Japan",
    volume = "42",
    number = "4",
    pages = "1129-1135",
    year = "1977",
    doi = "10.1143/JPSJ.42.1129",
    URL = "https://doi.org/10.1143/JPSJ.42.1129"
}

Huang1993

Ming-Zhu Huang, W. Y. Ching
Calculation of optical excitations in cubic semiconductors. I. Electronic structure and linear response
Phys. Rev. B 47, 9449-9463 (1993)
URL: https://doi.org/10.1103/physrevb.47.9449
bibtex

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bibtex

@article{Huang1993,
    author = "Huang, Ming-Zhu and Ching, W. Y.",
    title = "Calculation of optical excitations in cubic semiconductors. I. Electronic structure and linear response",
    journal = "Phys. Rev. B",
    volume = "47",
    number = "15",
    pages = "9449-9463",
    year = "1993",
    publisher = "American Physical Society (APS)",
    source = "Crossref",
    doi