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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¶

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

Adler1962¶

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

Albrecht1998¶

Albrecht, Stefan, Reining, Lucia, Del Sole, Rodolfo, Onida, Giovanni
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

Allen1975¶

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

Allen1976¶

Allen, P B, Heine, V
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

Allen1978¶

Allen, P. B.
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

Allen1981¶

Allen, P. B., Cardona, M.
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

Allen1983¶

Allen, P. B., Cardona, M.
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

Allen1983a¶

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

Allen1996¶

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

Allen2013¶

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

Amadon2006¶

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

Amadon2008¶

Amadon, B., Lechermann, F., Georges, A., Jollet, F., Wehling, T. O., Lichtenstein, A. I.
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

Amadon2008a¶

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

Amadon2012¶

Amadon, B
A self-consistent DFT + DMFT scheme in the projector augmented wave method: Applications to cerium, Ce2O3and 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

Amadon2014¶

Amadon, Bernard, Applencourt, Thomas, Bruneval, Fabien
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

Amadon2015¶

Amadon, Bernard, Gerossier, Alexis
Comparative analysis of models for theα−γphase 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

Ambrosetti2012¶

Ambrosetti, A., Silvestrelli, P. L.
van der Waals interactions in density functional theory using Wannier functions: Improvedc6andc3coefficients by a different approach
Phys. Rev. B 85, 073101 (2012)
URL: https://doi.org/10.1103/physrevb.85.073101

Anisimov1991¶

Anisimov, V. I., Gunnarsson, O.
Density-functional calculation of effective Coulomb interactions in metals
Phys. Rev. B 43, 7570-7574 (1991)
URL: https://doi.org/10.1103/physrevb.43.7570

Antonius2014¶

Antonius, G., Poncé, S., Boulanger, P., Côté, M., Gonze, X.
Many-Body Effects on the Zero-Point Renormalization of the Band Structure
Phys. Rev. Lett. 112, 215501 (2014)
URL: https://doi.org/10.1103/physrevlett.112.215501

Antonius2015¶

Antonius, G., Poncé, S., Lantagne-Hurtubise, E., Auclair, G., Gonze, X., Côté, M.
Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure
Phys. Rev. B 92, 085137 (2015)
URL: https://doi.org/10.1103/physrevb.92.085137

Arponen1979¶

Arponen, J, Pajanne, E
Angular correlation in positron annihilation
J. Phys. F: Met. Phys. 9, 2359-2376 (1979)
URL: https://doi.org/10.1088/0305-4608/9/12/009

Aryasetiawan2004¶

Aryasetiawan, F., Imada, M., Georges, A., Kotliar, G., Biermann, S., Lichtenstein, A. I.
Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
Phys. Rev. B 70, 195104 (2004)
URL: https://doi.org/10.1103/physrevb.70.195104

Aryasetiawan2006¶

Aryasetiawan, F., Karlsson, K., Jepsen, O., Schönberger, U.
Calculations of HubbardUfrom first-principles
Phys. Rev. B 74, 125106 (2006)
URL: https://doi.org/10.1103/physrevb.74.125106

Audouze2006¶

Audouze, Christophe, Jollet, François, Torrent, Marc, Gonze, Xavier
Projector augmented-wave approach to density-functional perturbation theory
Phys. Rev. B 73, 235101 (2006)
URL: https://doi.org/10.1103/physrevb.73.235101

Audouze2008¶

Audouze, Christophe, Jollet, François, Torrent, Marc, Gonze, Xavier
Comparison between projector augmented-wave and ultrasoft pseudopotential formalisms at the density-functional perturbation theory level
Phys. Rev. B 78, 035105 (2008)
URL: https://doi.org/10.1103/physrevb.78.035105

Bachelet1982¶

Bachelet, G. B., Hamann, D. R., Schlüter, M.
Pseudopotentials that work: From H to Pu
Phys. Rev. B 26, 4199-4228 (1982)
URL: https://doi.org/10.1103/physrevb.26.4199

Bader1994¶

Bader, R.F.W.
Atoms in Molecules: A Quantum Theory
Clarendon Press (1994)
URL: https://books.google.be/books?id=sDptAQAACAAJ

Barbiellini1996¶

Barbiellini, B., Puska, M. J., Korhonen, T., Harju, A., Torsti, T., Nieminen, R. M.
Calculation of positron states and annihilation in solids: A density-gradient-correction scheme
Phys. Rev. B 53, 16201-16213 (1996)
URL: https://doi.org/10.1103/physrevb.53.16201

Baroni1986¶

Baroni, Stefano, Resta, Raffaele
Ab initiocalculation of the macroscopic dielectric constant in silicon
Phys. Rev. B 33, 7017-7021 (1986)
URL: https://doi.org/10.1103/physrevb.33.7017

Baroni1987¶

Baroni, Stefano, Giannozzi, Paolo, Testa, Andrea
Green’s-function approach to linear response in solids
Phys. Rev. Lett. 58, 1861-1864 (1987)
URL: https://doi.org/10.1103/physrevlett.58.1861

Baroni2001¶

Baroni, Stefano, de Gironcoli, Stefano, Dal Corso, Andrea, Giannozzi, Paolo
Phonons and related crystal properties from density-functional perturbation theory
Rev. Mod. Phys. 73, 515-562 (2001)
URL: https://doi.org/10.1103/revmodphys.73.515

Becke1990¶

Becke, A. D., Edgecombe, K. E.
A simple measure of electron localization in atomic and molecular systems
The Journal of Chemical Physics 92, 5397-5403 (1990)
URL: https://doi.org/10.1063/1.458517

Benedict1998¶

Benedict, Lorin X., Shirley, Eric L., Bohn, Robert B.
Optical Absorption of Insulators and the Electron-Hole Interaction: Anab InitioCalculation
Phys. Rev. Lett. 80, 4514-4517 (1998)
URL: https://doi.org/10.1103/physrevlett.80.4514

Bengone2000¶

Bengone, O., Alouani, M., Blöchl, P., Hugel, J.
Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO
Phys. Rev. B 62, 16392-16401 (2000)
URL: https://doi.org/10.1103/physrevb.62.16392

Bergeron2016¶

Bergeron, Dominic, Tremblay, A.-M. S.
Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation
Phys. Rev. E 94, 023303 (2016)
URL: https://doi.org/10.1103/physreve.94.023303

Bhagavantam1964¶

Bhagavantam, S., Pantulu, P. V.
Crystal symmetry and physical properties: Application of group theory
Proceedings of the Indian Academy of Sciences - Section A 60, 1–10 (1964)
URL: http://www-old.ias.ac.in/j_archive/proca/volindex.html

Bieder2014¶

Bieder, J., Amadon, B.
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

Blanco1997¶

Blanco, Miguel A., Flórez, M., Bermejo, M.
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

Blancoa1997¶

Blanco, Miguel A., Flórez, M., Bermejo, M.
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

Bloechl1994¶

Blöchl, P. E.
Projector augmented-wave method
Phys. Rev. B 50, 17953-17979 (1994)
URL: https://doi.org/10.1103/physrevb.50.17953

Bloechl1994a¶

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

Bockstedte1997¶

Bockstedte, Michel, Kley, Alexander, Neugebauer, Jörg, Scheffler, Matthias
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

Boronski1986¶

Boroński, E., Nieminen, R. M.
Electron-positron density-functional theory
Phys. Rev. B 34, 3820-3831 (1986)
URL: https://doi.org/10.1103/physrevb.34.3820

Bottin2008¶

Bottin, François, Leroux, Stéphane, Knyazev, Andrew, Zérah, Gilles
Large-scale ab initio calculations based on three levels of parallelization
Computational Materials Science 42, 329-336 (2008)
URL: https://doi.org/10.1016/j.commatsci.2007.07.019

Bousquet2011¶

Bousquet, Eric, Spaldin, Nicola A., Delaney, Kris T.
Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity
Phys. Rev. Lett. 106, 107202 (2011)
URL: https://doi.org/10.1103/physrevlett.106.107202

Bruneval2006¶

Bruneval, Fabien, Vast, Nathalie, Reining, Lucia
Effect of self-consistency on quasiparticles in solids
Phys. Rev. B 74, 045102 (2006)
URL: https://doi.org/10.1103/physrevb.74.045102

Bruneval2008¶

Bruneval, Fabien, Gonze, Xavier
AccurateGWself-energies in a plane-wave basis using only a few empty states: Towards large systems
Phys. Rev. B 78, 085125 (2008)
URL: https://doi.org/10.1103/physrevb.78.085125

Bruneval2012¶

Bruneval, Fabien
Range-Separated Approach to the RPA Correlation Applied to the van der Waals Bond and to Diffusion of Defects
Phys. Rev. Lett. 108, 256403 (2012)
URL: https://doi.org/10.1103/physrevlett.108.256403

Bruneval2014¶

Bruneval, Fabien, Crocombette, Jean-Paul, Gonze, Xavier, Dorado, Boris, Torrent, Marc, Jollet, François
Consistent treatment of charged systems within periodic boundary conditions: The projector augmented-wave and pseudopotential methods revisited
Phys. Rev. B 89, 045116 (2014)
URL: https://doi.org/10.1103/physrevb.89.045116

Calloni2005¶

Calloni, A., Dupasquier, A., Ferragut, R., Folegati, P., Iglesias, M. M., Makkonen, I., Puska, M. J.
Positron localization effects on the Doppler broadening of the annihilation line: Aluminum as a case study
Phys. Rev. B 72, 054112 (2005)
URL: https://doi.org/10.1103/physrevb.72.054112

Campillo1998¶

Campillo, I., Pitarke, J. M., Eguiluz, A. G.
Electronic stopping power of aluminum crystal
Phys. Rev. B 58, 10307-10314 (1998)
URL: https://doi.org/10.1103/physrevb.58.10307

Cappellini1993¶

Cappellini, G., Del Sole, R., Reining, Lucia, Bechstedt, F.
Model dielectric function for semiconductors
Phys. Rev. B 47, 9892-9895 (1993)
URL: https://doi.org/10.1103/physrevb.47.9892

Caracas2007¶

Caracas, Razvan, Cohen, R. E.
Prediction of polar ordered oxynitride perovskites
Appl. Phys. Lett. 91, 092902 (2007)
URL: https://doi.org/10.1063/1.2776370

Caracas2007a¶

Caracas, Razvan, Cohen, R. E.
Post-perovskite phase in selected sesquioxides from density-functional calculations
Phys. Rev. B 76, 184101 (2007)
URL: https://doi.org/10.1103/physrevb.76.184101

Caracas2008¶

Caracas, Razvan
Dynamical Instabilities of Ice X
Phys. Rev. Lett. 101, 085502 (2008)
URL: https://doi.org/10.1103/physrevlett.101.085502

Casida1998¶

Casida, Mark E., Jamorski, Christine, Casida, Kim C., Salahub, Dennis R.
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
The Journal of Chemical Physics 108, 4439-4449 (1998)
URL: https://doi.org/10.1063/1.475855

Casida1998a¶

Casida, Mark E., Casida, Kim C., Salahub, Dennis R.
Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde’s 1A1 manifold
International Journal of Quantum Chemistry 70, 933–941 (1998)
URL: https://onlinelibrary.wiley.com/doi/10.1002/%28SICI%291097-461X%281998%2970%3A⅘%3C933%3A%3AAID-QUA39%3E3.0.CO%3B2-Z

Ceresoli2006¶

Ceresoli, Davide, Thonhauser, T., Vanderbilt, David, Resta, R.
Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals
Phys. Rev. B 74, 024408 (2006)
URL: https://doi.org/10.1103/physrevb.74.024408

Cococcioni2005¶

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

Coleman2015¶

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

Czyzyk1994¶

Czyżyk, M. T., Sawatzky, G. A.
Local-density functional and on-site correlations: The electronic structure ofLa2CuO4andLaCuO3
Phys. Rev. B 49, 14211-14228 (1994)
URL: https://doi.org/10.1103/physrevb.49.14211

Daubechies1992¶

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

Dion2004¶

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

Djani2012¶

Djani, Hania, Bousquet, Eric, Kellou, Abdelhafid, Ghosez, Philippe
First-principles study of the ferroelectric Aurivillius phase Bi2WO6
Phys. Rev. B 86, 054107 (2012)
URL: http://dx.doi.org/10.1103/physrevb.86.054107

Draxl2006¶

Ambrosch-Draxl, Claudia, Sofo, Jorge O.
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

Espejo2012¶

Espejo, C., Rangel, T., Pouillon, Y., Romero, A.H., Gonze, X.
Wannier functions approach to van der Waals interactions in ABINIT
Comput. Phys. Commun. 183, 480-485 (2012)
URL: https://doi.org/10.1016/j.cpc.2011.11.003

Ferreira2008¶

Ferreira, Luiz G., Marques, Marcelo, Teles, Lara K.
Approximation to density functional theory for the calculation of band gaps of semiconductors
Phys. Rev. B 78, 125116 (2008)
URL: https://doi.org/10.1103/physrevb.78.125116

Fetter1971¶

Fetter, A.L., Walecka, J.D.
Quantum Theory of Many-Particle Systems
McGraw-Hill, New York (1971)

Folegati2007¶

Folegati, P., Makkonen, I., Ferragut, R., Puska, M. J.
Analysis of electron-positron momentum spectra of metallic alloys as supported by first-principles calculations
Phys. Rev. B 75, 054201 (2007)
URL: https://doi.org/10.1103/physrevb.75.054201

Fresard1997¶

Frésard, Raymond, Kotliar, Gabriel
Interplay of Mott transition and ferromagnetism in the orbitally degenerate Hubbard model
Phys. Rev. B 56, 12909-12915 (1997)
URL: https://doi.org/10.1103/physrevb.56.12909

Freund1995¶

Freund, Roland W., Nachtigal, Noël M.
Software for simplified Lanczos and QMR algorithms
Applied Numerical Mathematics 19, 319-341 (1995)
URL: https://doi.org/10.1016/0168-9274(95)00089-5

Fuchs1999¶

Fuchs, Martin, Scheffler, Matthias
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
Comput. Phys. Commun. 119, 67-98 (1999)
URL: https://doi.org/10.1016/s0010-4655(98)00201-x

Garcia2018¶

García, Alberto, Verstraete, Matthieu J., Pouillon, Yann, Junquera, Javier
The psml format and library for norm-conserving pseudopotential data curation and interoperability
Computer Physics Communications 227, 51-71 (2018)
URL: http://dx.doi.org/10.1016/j.cpc.2018.02.011

Garrity2014¶

Garrity, Kevin F., Bennett, Joseph W., Rabe, Karin M., Vanderbilt, David
Pseudopotentials for high-throughput DFT calculations
Computational Materials Science 81, 446-452 (2014)
URL: https://doi.org/10.1016/j.commatsci.2013.08.053

Geneste2012¶

Geneste, Grégory, Torrent, Marc, Bottin, François, Loubeyre, Paul
Strong Isotope Effect in Phase II of Dense Solid Hydrogen and Deuterium
Phys. Rev. Lett. 109, 155303 (2012)
URL: https://doi.org/10.1103/physrevlett.109.155303

Geneste2015¶

Geneste, Grégory, Ottochian, Alistar, Hermet, Jessica, Dezanneau, Guilhem
Proton transport in barium stannate: Classical, semi-classical and quantum regimes
Phys. Chem. Chem. Phys. 17, 19104-19118 (2015)
URL: https://doi.org/10.1039/c5cp01216c

Geneste2016¶

Geneste, G., Amadon, B., Torrent, M., Dezanneau, G.
Unpublished (2016)

Genovese2008¶

Genovese, Luigi, Neelov, Alexey, Goedecker, Stefan, Deutsch, Thierry, Ghasemi, Seyed Alireza, Willand, Alexander, Caliste, Damien, Zilberberg, Oded, Rayson, Mark, Bergman, Anders, Schneider, Reinhold
Daubechies wavelets as a basis set for density functional pseudopotential calculations
The Journal of Chemical Physics 129, 014109 (2008)
URL: https://doi.org/10.1063/1.2949547

Genovese2009¶

Genovese, Luigi, Ospici, Matthieu, Deutsch, Thierry, Méhaut, Jean-François, Neelov, Alexey, Goedecker, Stefan
Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures
The Journal of Chemical Physics 131, 034103 (2009)
URL: https://doi.org/10.1063/1.3166140

Georges1996¶

Georges, Antoine, Kotliar, Gabriel, Krauth, Werner, Rozenberg, Marcelo J.
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
Rev. Mod. Phys. 68, 13-125 (1996)
URL: https://doi.org/10.1103/revmodphys.68.13

Georges2004¶

Georges, Antoine
Strongly Correlated Electron Materials: Dynamical Mean-Field Theory and Electronic Structure
AIP (2004)
URL: http://dx.doi.org/10.1063/1.1800733

Ghosez1998¶

Ghosez, Ph., Michenaud, J.-P., Gonze, X.
Dynamical atomic charges: The case ofABO3compounds
Phys. Rev. B 58, 6224-6240 (1998)
URL: https://doi.org/10.1103/physrevb.58.6224

Giannozzi1991¶

Giannozzi, Paolo, de Gironcoli, Stefano, Pavone, Pasquale, Baroni, Stefano
Ab initio calculation of phonon dispersions in semiconductors
Phys. Rev. B 43, 7231 (1991)

Giannozzi2009¶

Giannozzi, Paolo, Baroni, Stefano, Bonini, Nicola, Calandra, Matteo, Car, Roberto, Cavazzoni, Carlo, Ceresoli, Davide, Chiarotti, Guido L, Cococcioni, Matteo, Dabo, Ismaila, Dal Corso, Andrea, de Gironcoli, Stefano, Fabris, Stefano, Fratesi, Guido, Gebauer, Ralph, Gerstmann, Uwe, Gougoussis, Christos, Kokalj, Anton, Lazzeri, Michele, Martin-Samos, Layla, Marzari, Nicola, Mauri, Francesco, Mazzarello, Riccardo, Paolini, Stefano, Pasquarello, Alfredo, Paulatto, Lorenzo, Sbraccia, Carlo, Scandolo, Sandro, Sclauzero, Gabriele, Seitsonen, Ari P, Smogunov, Alexander, Umari, Paolo, Wentzcovitch, Renata M
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials
J. Phys.: Condens. Matter 21, 395502 (2009)
URL: https://doi.org/10.1088/0953-8984/21/39/395502

Giantomassi2011¶

Giantomassi, M., Stankovski, M., Shaltaf, R., Grüning, M., Bruneval, F., Rinke, P., Rignanese, G.-M.
Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications
phys. stat. sol. (b) 248, 275-289 (2011)
URL: https://doi.org/10.1002/pssb.201046094

Gillet2013¶

Gillet, Yannick, Giantomassi, Matteo, Gonze, Xavier
First-principles study of excitonic effects in Raman intensities
Phys. Rev. B 88, 094305 (2013)
URL: https://doi.org/10.1103/physrevb.88.094305

Gillet2015¶

Gillet, Yannick, Giantomassi, Matteo, Gonze, Xavier
Efficient on-the-fly interpolation technique for Bethe–Salpeter calculations of optical spectra
Comput. Phys. Commun. 203, 83-93 (2016)
URL: https://doi.org/10.1016/j.cpc.2016.02.008

Gillet2017¶

Gillet, Yannick, Kontur, Stefan, Giantomassi, Matteo, Draxl, Claudia, Gonze, Xavier
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction
Sci Rep 7, 7344 (2017)
URL: https://doi.org/10.1038/s41598-017-07682-y

Godby1989¶

Godby, R. W., Needs, R. J.
Metal-insulator transition in Kohn-Sham theory and quasiparticle theory
Phys. Rev. Lett. 62, 1169-1172 (1989)
URL: https://doi.org/10.1103/physrevlett.62.1169

Goedecker1996¶

Goedecker, S., Teter, M., Hutter, J.
Separable dual-space Gaussian pseudopotentials
Phys. Rev. B 54, 1703-1710 (1996)
URL: https://doi.org/10.1103/physrevb.54.1703

Gonze1991¶

Gonze, Xavier, Stumpf, Roland, Scheffler, Matthias
Analysis of separable potentials
Phys. Rev. B 44, 8503-8513 (1991)
URL: https://doi.org/10.1103/physrevb.44.8503

Gonze1995¶

Gonze, Xavier
Adiabatic density-functional perturbation theory
Phys. Rev. A 52, 1096-1114 (1995)
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