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title = {Electrodynamics of continuous media:},
isbn = {9780080302751},
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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},
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title = {Electron-Phonon beyond Fr\"ohlich: Dynamical Quadrupoles in Polar and Covalent Solids},
author = {Brunin, Guillaume and Miranda, Henrique Pereira Coutada and Giantomassi, Matteo and Royo, Miquel and Stengel, Massimiliano and Verstraete, Matthieu J. and Gonze, Xavier and Rignanese, Gian-Marco and Hautier, Geoffroy},
journal = {Phys. Rev. Lett.},
volume = {125},
issue = {13},
pages = {136601},
numpages = {6},
year = {2020},
month = {Sep},
publisher = {American Physical Society},
doi = {10.1103/PhysRevLett.125.136601},
url = {https://link.aps.org/doi/10.1103/PhysRevLett.125.136601}
}
@article{Brunin2020b,
title = {Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles},
author = {Brunin, Guillaume and Miranda, Henrique Pereira Coutada and Giantomassi, Matteo and Royo, Miquel and Stengel, Massimiliano and Verstraete, Matthieu J. and Gonze, Xavier and Rignanese, Gian-Marco and Hautier, Geoffroy},
journal = {Phys. Rev. B},
volume = {102},
issue = {9},
pages = {094308},
numpages = {16},
year = {2020},
month = {Sep},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.102.094308},
url = {https://link.aps.org/doi/10.1103/PhysRevB.102.094308}
}
@article{Kapil2019,
title = "i-PI 2.0: A universal force engine for advanced molecular simulations",
journal = "Computer Physics Communications",
volume = "236",
pages = "214 - 223",
year = "2019",
issn = "0010-4655",
doi = "https://doi.org/10.1016/j.cpc.2018.09.020",
url = "http://www.sciencedirect.com/science/article/pii/S0010465518303436",
author = "Venkat Kapil and Mariana Rossi and Ondrej Marsalek and Riccardo Petraglia and Yair Litman and Thomas Spura and Bingqing Cheng and Alice Cuzzocrea and Robert H. Meißner and David M. Wilkins and Benjamin A. Helfrecht and Przemysław Juda and Sébastien P. Bienvenue and Wei Fang and Jan Kessler and Igor Poltavsky and Steven Vandenbrande and Jelle Wieme and Clemence Corminboeuf and Thomas D. Kühne and David E. Manolopoulos and Thomas E. Markland and Jeremy O. Richardson and Alexandre Tkatchenko and Gareth A. Tribello and Veronique {Van Speybroeck} and Michele Ceriotti",
keywords = "Accelerated sampling, Geometry optimizers, Path integral, Molecular dynamics, ",
}
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title = {Anisotropic Migdal-Eliashberg theory using Wannier functions},
author = {Margine, E. R. and Giustino, F.},
journal = {Phys. Rev. B},
volume = {87},
issue = {2},
pages = {024505},
numpages = {12},
year = {2013},
month = {Jan},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.87.024505},
url = {https://link.aps.org/doi/10.1103/PhysRevB.87.024505}
}
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title = "Electronic structure, electron–phonon coupling, and multiband effects in MgB2",
journal = "Physica C: Superconductivity",
volume = "385",
number = "1",
pages = "49 - 65",
year = "2003",
issn = "0921-4534",
doi = "https://doi.org/10.1016/S0921-4534(02)02299-2",
url = "http://www.sciencedirect.com/science/article/pii/S0921453402022992",
author = "I.I. Mazin and V.P. Antropov",
keywords = "Band theory, Electron–phonon interaction, Multi-gap superconductivity",
abstract = "We review the current situation in the theory of superconducting and transport properties of MgB2. First principle calculations of the electronic structure and electron–phonon coupling are discussed and compared with the experiment. We also present a brief description of the multiband effects in superconductivity and transport, and how these manifest themselves in MgB2."
}
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title = {Improved tetrahedron method for the Brillouin-zone integration applicable to response functions},
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issue = {9},
pages = {094515},
numpages = {8},
year = {2014},
month = {Mar},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.89.094515},
url = {https://link.aps.org/doi/10.1103/PhysRevB.89.094515}
}
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title = {Fermi-surface harmonics: A general method for nonspherical problems. Application to Boltzmann and Eliashberg equations},
author = {Allen, Philip B.},
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numpages = {0},
year = {1976},
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publisher = {American Physical Society},
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url = {https://link.aps.org/doi/10.1103/PhysRevB.13.1416}
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title = {Image of the Fermi Surface in the Vibration Spectrum of a Metal},
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numpages = {0},
year = {1959},
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publisher = {American Physical Society},
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author = {Zwanziger, J.W.},
doi = {10.1016/j.ssnmr.2016.10.005},
pages = {14-18},
source = {Crossref},
url = {http://dx.doi.org/10.1016/j.ssnmr.2016.10.005},
volume = {80},
journal = {Solid State Nuclear Magnetic Resonance},
publisher = {Elsevier BV},
title = {Computation of NMR observables: Consequences of projector-augmented wave sphere overlap},
issn = {0926-2040},
year = {2016},
month = nov,
}
@book{Vanderbilt2018,
title={Berry Phases in Electronic Structure Theory:
Electric Polarization, Orbital Magnetization and Topological Insulators},
author={Vanderbilt, David},
year={2018},
publisher={Cambridge University Press}
}
@book{Boyd2020,
title={Nonlinear optics},
author={Boyd, Robert W},
year={2020},
publisher={Academic press}
}
@article{Caracas2006,
title={Theoretical determination of the Raman spectra of MgSiO$_3$ perovskite and post-perovskite at high pressure},
author={Caracas, Razvan and Cohen, Ronald E},
journal={Geophysical Research Letters},
volume={33},
pages = {L12S05},
number={12},
year={2006},
url={https://doi.org/10.1029/2006GL025736},
doi={doi.org/10.1029/2006GL025736},
publisher={Wiley Online Library}
}
@article{Miglio2020,
author = {Anna Miglio and Véronique Brousseau-Couture and Emile Godbout and Gabriel Antonius and Yang-Hao Chan and Steven G. Louie and Michel Côté and Matteo Giantomassi and Xavier Gonze},
journal = {npj Computational Materials},
pages = {167},
title = {Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap},
volume = {6},
year = {2020}
}
@article{Paillard2019,
author = {Paillard, Charles and Torun, Engin and Wirtz, Ludger and Íñiguez, Jorge and Bellaiche, Laurent},
doi = {10.1103/physrevlett.123.087601},
number = {8},
source = {Crossref},
url = {http://dx.doi.org/10.1103/physrevlett.123.087601},
volume = {123},
pages = {087601},
journal = {Phys. Rev. Lett.},
publisher = {American Physical Society (APS)},
title = {Photoinduced Phase Transitions in Ferroelectrics},
issn = {0031-9007, 1079-7114},
year = {2019},
month = aug,
}
@article{Jia2019,
author = {Yongchao Jia and Samuel Ponc{\'e} and Anna Miglio and Masayoshi Mikami and Xavier Gonze},
journal = {Phys. Rev. B},
pages = {155109},
title = {Beyond the one-dimensional configuration coordinate model of photoluminescence},
volume = {100},
year = {2019},
doi = {10.1103/PhysRevB.100.155109}
}
@article{Sadigh2015,
author = {Babak Sadigh and Paul Erhart and Daniel Aberg},
journal = {Phys. Rev. B},
pages = {075202},
title = {Variational polaron self-interaction corrected total-energy functional for charge excitations in insulators},
volume = {92},
year = {2015},
doi = {10.1103/PhysRevB.92.075202}
}
@article{Sadigh2015a,
author = {Babak Sadigh and Paul Erhart and Daniel {\AA}berg},
journal = {Phys. Rev. B},
pages = {199905},
title = {Erratum: Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators [Phys. Rev. B 92, 075202 (2015)]},
volume = {92},
year = {2015},
doi = {10.1103/PhysRevB.92.199905}
}
@article{Tal2021,
title = {Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond $GW$},
author = {Tal, Alexey and Chen, Wei and Pasquarello, Alfredo},
journal = {Phys. Rev. B},
volume = {103},
pages = {L161104},
year = {2021},
doi = {10.1103/PhysRevB.103.L161104},
}
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