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Gabriel Antonius
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The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
3982020
ABINIT: Overview and focus on selected capabilities
AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
1862020
Many-body effects on the zero-point renormalization of the band structure
G Antonius, S Poncé, P Boulanger, M Côté, X Gonze
Physical Review Letters 112 (21), 215501, 2014
1842014
Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure
MC Gabriel Antonius, Samuel Poncé, Étienne Lantagne-Hurtubise, Gabriel ...
Physical Review B 92 (8), 085137, 2015
1312015
Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
S Poncé, G Antonius, Y Gillet, P Boulanger, JL Janssen, A Marini, M Côté, ...
Physical Review B 90 (21), 214304, 2014
1262014
band gap of ZnO: Effects of plasmon-pole models
M Stankovski, G Antonius, D Waroquiers, A Miglio, H Dixit, K Sankaran, ...
Physical Review B 84 (24), 241201, 2011
1232011
Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT …
S Poncé, G Antonius, P Boulanger, E Cannuccia, A Marini, M Côté, ...
Computational Materials Science 83, 341-348, 2014
1202014
Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron
JP Nery, PB Allen, G Antonius, L Reining, A Miglio, X Gonze
Physical Review B 97 (11), 115145, 2018
852018
Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the Method: Correlation-Enhanced Interactions and Superconductivity in
Z Li, G Antonius, M Wu, FH da Jornada, SG Louie
Physical review letters 122 (18), 186402, 2019
782019
Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap
A Miglio, V Brousseau-Couture, E Godbout, G Antonius, YH Chan, ...
npj Computational Materials 6 (1), 167, 2020
682020
Temperature-induced topological phase transitions: promoted versus suppressed nontrivial topology
G Antonius, SG Louie
Physical review letters 117 (24), 246401, 2016
482016
Theory of exciton-phonon coupling
G Antonius, SG Louie
Physical Review B 105 (8), 085111, 2022
462022
Orbital symmetry and the optical response of single-layer MX monochalcogenides
G Antonius, DY Qiu, SG Louie
Nano letters 18 (3), 1925-1929, 2018
432018
Reproducibility in G0W0 calculations for solids
T Rangel, M Del Ben, D Varsano, G Antonius, F Bruneval, FH da Jornada, ...
Computer Physics Communications 255, 107242, 2020
362020
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene
F Brown-Altvater, G Antonius, T Rangel, M Giantomassi, C Draxl, X Gonze, ...
Physical Review B 101 (16), 165102, 2020
302020
Effects of plasmon pole models on the G0W0 electronic structure of various oxides
A Miglio, D Waroquiers, G Antonius, M Giantomassi, M Stankovski, ...
The European Physical Journal B 85, 1-8, 2012
292012
Static subspace approximation for the evaluation of quasiparticle energies within a sum-over-bands approach
M Del Ben, FH da Jornada, G Antonius, T Rangel, SG Louie, J Deslippe, ...
Physical Review B 99 (12), 125128, 2019
172019
Layer-dependent electronic structure of atomically resolved two-dimensional gallium selenide telluride
A Azizi, G Antonius, E Regan, R Eskandari, S Kahn, F Wang, SG Louie, ...
Nano letters 19 (3), 1782-1787, 2019
122019
Temperature dependence of the topological phase transition of BiTeI from first principles
V Brousseau-Couture, G Antonius, M Côté
Physical Review Research 2 (2), 023185, 2020
112020
Polaron spectral properties in doped ZnO and from first principles
G Antonius, YH Chan, SG Louie
Physical Review Research 2 (4), 043296, 2020
102020
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