ABINIT, bibtex.
This document gives the bibtex data for all the bibliographical references mentioned in the ABINIT documentation.
Copyright (C) 1998-2017 ABINIT group (XG,DCA, RC)
Abrikosov1975
@article{Abrikosov1975,
author = {A.A. Abrikosov and L.P. Gorkov and E. Dzyaloshinskii},
title = { Methods of quantum field theory in statistical physics},
journal = {Dover, New-York},
year = {1975},
volume = {},
pages = {},
doi = {},
numpages = {},
publisher = {Dover, New-York}
}
Adler1962
@article{Adler1962,
author = {Adler, Stephen L.},
doi = {10.1103/physrev.126.413},
issn = {0031-899X},
journal = {Physical Review},
month = apr,
number = {2},
pages = {413-420},
publisher = {American Physical Society (APS)},
source = {Crossref},
title = {Quantum Theory of the Dielectric Constant in Real Solids},
volume = {126},
year = {1962}
}
Albrecht1998
@article{Albrecht1998,
author = {Albrecht, S. and Reining, L. and Del Sole, R. and Onida, G.},
title = {Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors},
journal = {Phys. Rev. Lett.},
year = {1998},
volume = {80},
pages = {4510--4513},
doi = {10.1103/PhysRevLett.80.4510},
numpages = {3},
publisher = {American Physical Society}
}
Allen1976
@article{Allen1976,
author = {Allen, P. B. and V. Heine},
title = {Theory of the temperature dependence of electronic band structures},
journal = {J. of Phys. C: Solid State Physics},
year = {1976},
volume = {9},
pages = {2305}
}
Allen1978
@article{Allen1978,
author = {Allen, P. B.},
title = {New method for solving Boltzmann's equation for electrons in metals},
journal = {Phys. Rev. B},
year = {1978},
volume = {17},
pages = {3725--3734},
optdoi = {10.1103/PhysRevB.17.3725},
issue = {10},
publisher = {American Physical Society},
}
Allen1981
@article{Allen1981,
author = {Allen, P. B. and Cardona, M.},
title = {Theory of the temperature dependence of the direct gap of germanium},
journal = {Phys. Rev. B},
year = {1981},
volume = {23},
pages = {1495--1505}
}
Allen1983
@article{Allen1983,
author = {Allen, P. B. and Cardona, M.},
title = {Temperature dependence of the direct gap of {S}i and {G}e },
journal = {Phys. Rev. B},
year = {1983},
volume = {27},
pages = {4760--4769}
}
Allen1996
@incollection{Allen1996,
AUTHOR = {Allen, P. B.},
TITLE = {Boltzmann Theory and Resistivity of Metals},
BOOKTITLE = {Quantum Theory of Real Materials},
EDITOR = {Chelikowsky, J. R. and Louie, S. G.},
PUBLISHER = {Kl{\"u}wer},
ADDRESS = {Boston},
PAGES = {219-250},
YEAR = {1996}
}
Allen2013
@article{Allen2013,
Title = {Recovering hidden Bloch character: Unfolding electrons, phonons, and slabs},
Author = {Allen, P. B. and Berlijn, T. and Casavant, D. A. and Soler, J. M.},
Journal = {Phys. Rev. B},
Year = {2013},
Pages = {085322},
Volume = {87}
}
Amadon2006
@article{Amadon2006,
author = {Amadon, B. and Biermann, S. and Georges, A. and Aryasetiawan, F.},
title = {The $\alpha$-$\gamma$ {T}ransition of {C}erium {I}s {E}ntropy {D}riven},
journal = {Phys. Rev. Lett.},
year = {2006},
volume = {96},
pages = {066402},
doi = {10.1103/PhysRevLett.96.066402},
file = {:/media/disk_iomega/BIBLIO/Cerium/DMFT/PhysRevLett.96.066402.pdf:PDF},
issue = {6},
numpages = {4},
publisher = {American Physical Society},
}
Amadon2008
@article{Amadon2008,
author = {Amadon, B. and Lechermann, F. and Georges, A. and Jollet, F. and Wehling, T. O. and Liechtenstein, A. I.},
title = {Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals},
journal = {Phys. Rev. B},
year = {2008},
volume = {77},
pages = {205112},
number = {20},
file = {:/media/disk_iomega/BIBLIO/DMFT/PhysRevB.77.205112.pdf:PDF},
owner = {amadonb},
publisher = {American Physical Society},
refid = {10.1103/PhysRevB.77.205112},
timestamp = {2012.08.08},
doi = {10.1103/PhysRevB.77.205112}
}
Amadon2008a
@article{Amadon2008a,
title = {$\gamma$ and $\beta$ cerium: {LDA}+{U} calculations of ground-state parameters},
author = {Amadon, B. and Jollet, F. and Torrent, M.},
journal = {Phys. Rev. B},
year = {2008},
volume = {77},
pages = {155104},
doi = {10.1103/PhysRevB.77.155104},
file = {:/media/disk_iomega/BIBLIO/Cerium/PhysRevB.77.155104-1.pdf:PDF},
issue = {15},
numpages = {10},
publisher = {American Physical Society},
}
Amadon2012
@article{Amadon2012,
author = {Amadon, B.},
title = {A self-consistent {DFT}+{DMFT} scheme in the projector augmented wave method: applications to cerium, {C}e$_2${O}$_3$ and {P}u$_2${O}$_3$ with the {H}ubbard {I} solver and comparison to {DFT}+{U}},
journal = {J. Phys.: Cond. Matt.},
year = {2012},
volume = {24},
pages = {075604},
number = {7},
file = {:/media/disk_iomega/BIBLIO/DMFT/0953-8984_24_7_075604.pdf:PDF},
issn = {0953-8984},
owner = {amadonb},
timestamp = {2012.08.08},
url = {http://iopscience.iop.org/article/10.1088/0953-8984/24/7/075604}
}
Amadon2014
@article{Amadon2014,
author = {Amadon, B. and Applencourt, T. and Bruneval, F.},
title = {Screened Coulomb interaction calculations: c{RPA} implementation and applications to dynamical screening and self-consistency in uranium dioxide and cerium},
journal = {Phys. Rev. B},
year = {2014},
volume = {89},
pages = {125110},
doi = {10.1103/PhysRevB.89.125110},
issue = {12},
numpages = {10},
publisher = {American Physical Society},
}
Amadon2015
@article{Amadon2015,
author = {Amadon, B. and Gerossier, A.},
title = {Comparative analysis of models for the $\alpha$-$\gamma$ phase transition in cerium: A DFT+DMFT study using Wannier orbitals},
journal = {Phys. Rev. B},
year = {2015},
volume = {91},
pages = {161103},
doi = {10.1103/PhysRevB.91.161103},
issue = {16},
numpages = {5},
publisher = {American Physical Society},
}
Ambrosetti2012
@article{Ambrosetti2012,
author = {Ambrosetti, A. and Silvestrelli, P. L.},
title = {van der {W}aals interactions in density functional theory using Wannier functions: Improved {C}6 and {C}3 coefficients by a different approach},
journal = {Phys. Rev. B},
year = {2012},
volume = {85},
pages = {073101}
}
Anisimov1991
@article{Anisimov1991,
author = {Anisimov, V. I. and Gunnarsson, O.},
title = {Density-functional calculation of effective Coulomb interactions in metals},
journal = {Phys. Rev. B},
year = {1991},
volume = {43},
pages = {7570--7574},
number = {10},
owner = {amadonb},
publisher = {American Physical Society},
refid = {10.1103/PhysRevB.43.7570},
timestamp = {2013.07.03},
doi = {10.1103/PhysRevB.43.7570}
}
Antonius2014
@article{Antonius2014,
author = {Antonius, G. and Ponc\'e, S. and Boulanger, P. and C\^ot\'e, M. and Gonze, X.},
title = {Many-Body Effects on the Zero-Point Renormalization of the Band Structure},
journal = {Phys. Rev. Lett.},
year = {2014},
volume = {112},
pages = {215501}
}
Antonius2015
@article{Antonius2015,
author = {Antonius, G. and Ponc\'e, S. and Lantagne-Hurtubise, E. and Auclair, G. and Gonze, X. and C\^ot\'e, M.},
title = {Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure},
journal = {Phys. Rev. B},
year = {2015},
volume = {92},
pages = {085137}
}
Arponen1979
@article{Arponen1979,
title = {Angular correlation in positron annihilation },
author = {J. Arponen and E. Pajanne},
doi = {10.1088/0305-4608/9/12/009},
journal = {J. Phys. F},
volume = {9},
pages = {2359},
year = {1979}
}
Aryasetiawan2004
@article{Aryasetiawan2004,
author = {Aryasetiawan, F. and Imada, M. and Georges, A. and Kotliar, G. and Biermann, S. and Liechtenstein, A. I.},
title = {Frequency-dependent local interactions and low-energy effective models from electronic structure calculations},
journal = {Phys. Rev. B},
year = {2004},
volume = {70},
pages = {195104--},
number = {19},
keywords = {cRPA},
owner = {amadonb},
publisher = {American Physical Society},
refid = {10.1103/PhysRevB.70.195104},
timestamp = {2013.03.15},
doi = {10.1103/PhysRevB.70.195104}
}
Aryasetiawan2006
@article{Aryasetiawan2006,
title={Calculations of Hubbard U from first-principles},
author={F. Aryasetiawan, K. Karlsson, O. Jepsen, and U. Sch\"onberger},
journal={Phys. Rev. B},
volume={74},
pages={125106},
year={2006}
}
Audouze2006
@article{Audouze2006,
author ={Audouze,C. and Jollet,F. and Torrent,M. and Gonze,X.},
journal ={Phys. Rev. B},
volume={73},
pages={235101},
year={2006},
title={Projector augmented-wave approach to density-functional perturbation theory}
}
Audouze2008
@article{Audouze2008,
author ={Audouze,C. and Jollet,F. and Torrent,M. and Gonze,X.},
journal ={Phys. Rev. B},
volume={78},
pages={035105},
year={2008},
title={Comparison between projector augmented-wave and ultrasoft pseudopotential formalisms at the density-functional perturbation theory level}
}
Bachelet1982
@article{Bachelet1982,
author = {Bachelet, G.B. and Hamann, D.R. and Schl\"uter, M.},
title = {Pseudopotentials that work: From {H} to {P}u},
journal = {Phys. Rev. B},
year = {1982},
volume = {26},
pages = {4199--4228},
doi = {10.1103/PhysRevB.26.4199},
numpages = {29},
publisher = {American Physical Society}
}
Bader1994
@article{Bader1994,
author = {Bader, R. F. W.},
title = {Atoms in Molecules: A Quantum Theory},
journal = {Oxford University Press.},
year = {1994},
volume = {ISBN 978-0-19-855865-1},
number = {},
pages = {},
url = {},
doi = {}
}
Barbiellini1996
@article{Barbiellini1996,
title = {Calculation of positron states and annihilation in solids: A density-gradient-correction scheme},
author = {Barbiellini, B. and Puska, M. J. and Korhonen, T. and Harju, A. and Torsti, T. and Nieminen, R. M.},
journal = {Phys. Rev. B},
volume = {53},
issue = {24},
pages = {16201},
year = {1996},
doi = {10.1103/PhysRevB.53.16201},
publisher = {American Physical Society}
}
Baroni1986
@article{Baroni1986,
author = {Baroni, Stefano and Resta, Raffaele},
issn = {0163-1829},
journal = {Phys. Rev. B},
month = may,
number = {10},
pages = {7017-7021},
publisher = {American Physical Society (APS)},
source = {Crossref},
title = {Ab initiocalculation of the macroscopic dielectric constant in silicon},
url = {https://journals.aps.org/prb/abstract/10.1103/PhysRevB.33.7017},
volume = {33},
year = {1986},
}
Baroni1987
@article{Baroni1987,
author = {Baroni, S. and Giannozzi, P. and Testa, A.},
title = {Green's-function approach to linear response in solids},
journal = {Phys. Rev. Lett.},
year = {1987},
volume = {58},
pages = {1861--1864}
}
Becke1990
@article{Becke1990,
author = {Becke, A. D. and Edgecombe, K. E.},
title = {A simple measure of electron localization in atomic and molecular systems},
journal = {J. Chem. Phys.},
year = {1990},
volume = {92},
number = {9},
pages = {5397-5403},
url = {http://scitation.aip.org/content/aip/journal/jcp/92/9/10.1063/1.458517},
doi = {10.1063/1.458517}
}
Benedict1998
@article{Benedict1998,
title = {Optical Absorption of Insulators and the Electron-Hole Interaction: An \textit{Ab Initio} Calculation},
author = {Benedict, L. X. and Shirley, E. L. and Bohn, R. B.},
journal = {Phys. Rev. Lett.},
volume = {80},
issue = {20},
pages = {4514--4517},
numpages = {0},
year = {1998},
publisher = {American Physical Society},
doi = {10.1103/PhysRevLett.80.4514}
}
Bengone2000
@article{Bengone2000,
title={Implementation of the projector augmented-wave {LDA}+{U} method: Application to the electronic structure of {N}i{O}},
author={O. Bengone, M. Alouani, P. Bl\"ochl, and J. Hugel},
journal={Phys. Rev. B},
volume={62},
pages={16392},
year={1994}
}
Bergeron2016
@article{Bergeron2016,
title = {Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation},
author = {Bergeron, Dominic and Tremblay, A.-M. S.},
journal = {Phys. Rev. E},
volume = {94},
issue = {2},
pages = {023303},
numpages = {25},
year = {2016},
month = {Aug},
publisher = {American Physical Society},
doi = {10.1103/PhysRevE.94.023303},
url = {https://link.aps.org/doi/10.1103/PhysRevE.94.023303}
}
Bieder2014
@article{Bieder2014,
author = {Bieder, J. and Amadon, B.},
title = {Thermodynamics of the $\alpha$-$\gamma$ transition in cerium from first principles},
journal = {Phys. Rev. B},
year = {2014},
volume = {89},
pages = {195132},
doi = {10.1103/PhysRevB.89.195132},
issue = {19},
numpages = {7},
publisher = {American Physical Society},
}
Blancoa1997
@article{Blancoa1997,
title={Evaluation of the rotation matrices in the basis of real spherical harmonics"},
author={Miguel A. Blancoa and M. Floreza and M. Bermejo},
journal={Journal of Molecular Structure (Theochem)},
volume={419},
pages={19},
year={1997}
}
Bloechl1994
@article{Bloechl1994,
author = {Bl\"{o}chl, P.E.},
title = {Projector augmented-wave method},
journal = {Phys. Rev. B},
year = {1994},
volume = {50},
pages = {17953-17979},
doi = {10.1103/PhysRevB.50.17953}
}
Bloechl1994a
@article{Bloechl1994a,
title = {Improved tetrahedron method for Brillouin-zone integrations},
author = {Bl\"ochl, Peter E. and Jepsen, O. and Andersen, O. K.},
journal = {Phys. Rev. B},
volume = {49},
issue = {23},
pages = {16223--16233},
numpages = {0},
year = {1994},
month = {Jun},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.49.16223},
url = {https://link.aps.org/doi/10.1103/PhysRevB.49.16223}
}
Bockstedte1997
@article{Bockstedte1997,
Author = {Bockstedte, M. and Kley,A. and Neugebauer, J. and Scheffler, M. },
title = {Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics},
Journal = {Comp. Phys. Comm.},
Volume = {107},
Pages = {187},
Year = {1997}
}
Boronski1986
@article{Boronski1986,
title = {Electron-positron density-functional theory},
author = {Boro\'nski, E. and Nieminen, R. M.},
journal = {Phys. Rev. B},
volume = {34},
issue = {6},
pages = {3820},
year = {1986},
doi = {10.1103/PhysRevB.34.3820},
publisher = {American Physical Society}
}
Bottin2008
@article{Bottin2008,
title={Large-scale ab initio calculations based on three levels of parallelization},
author={Bottin, F. and Leroux, S. and Knyazev, A. and Z{\'e}rah, G.},
journal={Comp. Mat. Sci.},
volume={42},
number={2},
pages={329--336},
year={2008},
publisher={Elsevier}
}
Bousquet2011
@article{Bousquet2011,
title = {Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity},
author = {Bousquet, E. and Spaldin, N. A. and Delaney, K. T.},
journal = {Phys. Rev. Lett.},
volume = {106},
pages = {107202},
year = {2011},
doi = {10.1103/PhysRevLett.106.107202},
}
Bruneval2006
@article{Bruneval2006,
author={F. Bruneval and N. Vast and L. Reining},
title={Effect of self-consistency on quasiparticles in solids},
journal={Phys. Rev. B},
volume={74},
pages={045102},
year={2006},
}
Bruneval2008
@article{Bruneval2008,
title = {Accurate {GW} self-energies in a plane-wave basis using only a few empty states: Towards large systems},
author = {Bruneval, F. and Gonze, X.},
journal = {Phys. Rev. B},
volume = {78},
issue = {8},
pages = {085125},
numpages = {9},
year = {2008},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.78.085125},
}
Bruneval2012
@article{Bruneval2012,
title = {Range-Separated Approach to the {RPA} Correlation Applied to the van der Waals Bond and to Diffusion of Defects},
author = {Bruneval, F.},
journal = {Phys. Rev. Lett.},
volume = {108},
issue = {25},
pages = {256403},
numpages = {5},
year = {2012},
publisher = {American Physical Society},
doi = {10.1103/PhysRevLett.108.256403},
}
Bruneval2014
@article{Bruneval2014,
title = {Consistent treatment of charged systems within periodic boundary conditions: The projector augmented-wave and pseudopotential methods revisited},
author = {Bruneval, F. and Crocombette, J.-P. and Gonze, X. and Dorado, B. and Torrent, M. and Jollet, F.},
journal = {Phys. Rev. B},
volume = {89},
issue = {4},
pages = {045116},
numpages = {13},
year = {2014},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.89.045116},
}
Calloni2005
@article{Calloni2005,
title={Positron localization effects on the Doppler broadening of the annihilation line: Aluminum as a case study},
author={Calloni, A. and Dupasquier, A. and Ferragut, R. and Folegati, P. and Iglesias, M.M. and Makkonen, I. and Puska, M.J.},
journal={Phys. Rev. B},
volume={72},
number={5},
pages={054112},
year={2005},
publisher={APS}
}
Campillo1998
@article{Campillo1998,
title = {Electronic stopping power of aluminum crystal},
journal = {Phys. Rev. B},
volume = {58},
issue = {16},
pages = {10307 - 10314},
year = {1998},
doi = {10.1103/PhysRevB.58.10307},
author = {I. Campillo and J. M. Pitarke and A. G. Eguiluz}
}
Cappellini1993
@article{Cappellini1993,
title = {Model dielectric function for semiconductors},
author = {Cappellini, G. and Del Sole, R. and Reining, L. and Bechstedt, F.},
journal = {Phys. Rev. B},
volume = {47},
issue = {15},
pages = {9892--9895},
numpages = {0},
year = {1993},
month = {Apr},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.47.9892},
}
Caracas2007
@article{Caracas2007,
title={Prediction of polar ordered oxynitride perovskites},
author={Caracas, R. and Cohen, R.E. },
journal={J. Appl. Phys. Lett.},
volume={91},
number={},
pages={092902},
year={2007},
doi = {10.1063/1.2776370},
publisher={}
}
Caracas2007a
@article{Caracas2007a,
title={Post-perovskite phase in selected sesquioxides from density-functional calculations},
author={Caracas, R. and Cohen, R.E. },
journal={Phys. Rev. B},
volume={76},
number={},
pages={184101},
year={2007},
doi = {},
publisher={}
}
Caracas2008
@article{Caracas2008,
title={Dynamical Instabilities of Ice X},
author={Caracas, R. },
journal={Phys. Rev. Lett.},
volume={101},
number={},
pages={085502},
year={2008},
doi = {10.1103/PhysRevLett.101.085502},
publisher={}
}
Casida1998
@article{Casida1998,
title = {Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory:
Characterization and correction of the time-dependent local density approximation ionization threshold},
author = {Mark E. Casida and Christine Jamorski and Kim C. Casida and Dennis R. Salahub},
journal = {J. Chem. Phys.},
volume = {108},
pages = {4439},
year = {1998},
doi = {10.1063/1.475855}
}
Casida1998a
@article{Casida1998a,
title = {Excited-state potential energy curves from time-dependent density-functional theory:
A cross section of formaldehyde's 1A1 manifold},
author = {Mark E. Casida and Kim C. Casida and Dennis R. Salahub},
journal = {International Journal of Quantum Chemistry},
volume = {70},
pages = {933},
year = {1998}
}
Cococcioni2005
@article{Cococcioni2005,
author = {Cococcioni, M. and de Gironcoli, S.},
title = {Linear response approach to the calculation of the effective interaction parameters in the {LDA}+{U} method},
journal = {Phys. Rev. B},
year = {2005},
volume = {71},
pages = {035105},
number = {3},
file = {:/media/disk_iomega/BIBLIO/Interaction/PhysRevB.71.035105.pdf:PDF},
keywords = {DFTU interaction, cRPA},
owner = {amadonb},
publisher = {American Physical Society},
refid = {10.1103/PhysRevB.71.035105},
timestamp = {2012.06.21},
doi = {10.1103/PhysRevB.71.035105}
}
Coleman2015
@book{Coleman2015,
title = {Introduction to Many-Body Physics},
publisher = {Cambridge University Press},
year = {2015},
author = {Piers Coleman},
}
Czyzyk1994
@article{Czyzyk1994,
title={Local-density functional and on-site correlations: {T}he electronic structure of {L}a$_2${C}u{O}$_4$ and {L}a{C}u{O}$_3$},
author={M. T. Czyzyk and G. A. Sawatzky},
journal={Phys. Rev. B},
volume={49},
pages={14211},
year={1994}
}
Daubechies1992
@book{Daubechies1992,
title = {10 Lectures on Wavelets},
publisher = {Society for Industrial and Applied Mathematics ({SIAM}, 3600 {M}arket {S}treet, {F}loor 6, {P}hiladelphia, {PA} 19104)},
year = {1992},
author = {Daubechies, I.},
isbn = {9780898712742},
keywords = {Mathematics / General, Mathematics / Infinity, Mathematics / Mathematical Analysis, Science / Waves \& Wave Mechanics, Technology \& Engineering / General},
language = {en}
}
Dion2004
@article{Dion2004,
title = {Van der Waals Density Functional for General Geometries},
author = {Dion, M. and Rydberg, H. and Schr\"oder, E. and Langreth, D. C. and Lundqvist, B. I.},
journal = {Phys. Rev. Lett.},
volume = {92},
pages = {246401},
year = {2004},
doi = {10.1103/PhysRevLett.92.246401},
note = {Erratum: DOI:10.1103/PhysRevLett.95.109902}
}
Espejo2012
@article{Espejo2012,
title={Wannier functions approach to van der {W}aals} interactions in {ABINIT} },
author={Espejo, C. and Rangel, T. and Pouillon, Y. and Romero, A. H. and Gonze, X.},
journal={Comp. Phys. Comm.},
volume={183},
pages={480},
year={2012},
}
Fetter1971
@article{Fetter1971,
title={Quantum Theory of Many-Particle Systems},
author={A.L. Fetter and J.D. Walecka},
journal={McGraw-Hill, New York},
volume={},
pages={},
publisher = {McGraw-Hill, New York},
year={1971}
}
Folegati2007
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