Bernard Amadon
Bernard Amadon
CEA, Université Paris-Saclay
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ABINIT: First-principles approach to material and nanosystem properties
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer Physics Communications 205, 106-131, 2016
DFT+ U calculations of the ground state and metastable states of uranium dioxide
B Dorado, B Amadon, M Freyss, M Bertolus
Physical Review B 79 (23), 235125, 2009
Structural, thermodynamic, and electronic properties of plutonium oxides from first principles
G Jomard, B Amadon, F Bottin, M Torrent
Physical Review B 78 (7), 075125, 2008
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
Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
B Amadon, F Lechermann, A Georges, F Jollet, TO Wehling, ...
Physical Review B 77 (20), 205112, 2008
γ and β cerium: LDA+ U calculations of ground-state parameters
B Amadon, F Jollet, M Torrent
Physical Review B 77 (15), 155104, 2008
The α− γ transition of cerium is entropy driven
B Amadon, S Biermann, A Georges, F Aryasetiawan
Physical review letters 96 (6), 066402, 2006
Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications
LV Pourovskii, B Amadon, S Biermann, A Georges
Physical Review B 76 (23), 235101, 2007
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), 124102, 2020
Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima
B Dorado, M Freyss, B Amadon, M Bertolus, G Jomard, P Garcia
Journal of Physics: Condensed Matter 25 (33), 333201, 2013
Structural properties and quasiparticle energies of cubic SrO, MgO and SrTiO3
G Cappellini, S Bouette-Russo, B Amadon, C Noguera, F Finocchi
Journal of Physics: Condensed Matter 12 (15), 3671, 2000
A self-consistent DFT+ DMFT scheme in the projector augmented wave method: applications to cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT+ U
B Amadon
Journal of Physics: Condensed Matter 24 (7), 075604, 2012
Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides
F Jollet, G Jomard, B Amadon, JP Crocombette, D Torumba
Physical Review B 80 (23), 235109, 2009
Diffusionless Phase Transition in Polycrystalline and Single-Crystal Cerium
F Decremps, L Belhadi, DL Farber, KT Moore, F Occelli, M Gauthier, ...
Physical Review Letters 106 (6), 065701, 2011
Screened Coulomb interaction calculations: cRPA implementation and applications to dynamical screening and self-consistency in uranium dioxide and cerium
B Amadon, T Applencourt, F Bruneval
Physical Review B 89 (12), 125110, 2014
Thermodynamics of the - transition in cerium from first principles
J Bieder, B Amadon
Physical Review B 89 (19), 195132, 2014
Mechanism for the α→ ε phase transition in iron
B Dupé, B Amadon, YP Pellegrini, C Denoual
Physical Review B 87 (2), 024103, 2013
First-principles DFT+ DMFT calculations of structural properties of actinides: Role of Hund's exchange, spin-orbit coupling, and crystal structure
B Amadon
Physical Review B 94 (11), 115148, 2016
Role of the lattice in the two-step evolution of γ-cerium under pressure
F Decremps, D Antonangeli, B Amadon, G Schmerber
Physical Review B 80 (13), 132103, 2009
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