Fabien Bruneval
Fabien Bruneval
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Cited by
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
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 558-562, 2005
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
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
Effect of self-consistency on quasiparticles in solids
F Bruneval, N Vast, L Reining
Physical Review B 74 (4), 045102, 2006
Understanding correlations in vanadium dioxide from first principles
M Gatti, F Bruneval, V Olevano, L Reining
Physical review letters 99 (26), 266402, 2007
Benchmarking the Starting Points of the GW Approximation for Molecules
F Bruneval, MAL Marques
Journal of chemical theory and computation 9 (1), 324-329, 2013
Accurate self-energies in a plane-wave basis using only a few empty states: Towards large systems
F Bruneval, X Gonze
Physical Review B 78 (8), 085125, 2008
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
Point defect modeling in materials: Coupling ab initio and elasticity approaches
C Varvenne, F Bruneval, MC Marinica, E Clouet
Physical Review B 88 (13), 134102, 2013
Many-Body Perturbation Theory Using the Density-Functional Concept: Beyond the Approximation
F Bruneval, F Sottile, V Olevano, R Del Sole, L Reining
Physical review letters 94 (18), 186402, 2005
molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters
F Bruneval, T Rangel, SM Hamed, M Shao, C Yang, JB Neaton
Computer Physics Communications 208, 149-161, 2016
A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules
F Bruneval, SM Hamed, JB Neaton
The Journal of Chemical Physics 142 (24), 244101, 2015
Exchange and Correlation Effects in Electronic Excitations of
F Bruneval, N Vast, L Reining, M Izquierdo, F Sirotti, N Barrett
Physical review letters 97 (26), 267601, 2006
A molecular dynamics study of the early stages of calcium carbonate growth
GA Tribello, F Bruneval, CC Liew, M Parrinello
The Journal of Physical Chemistry B 113 (34), 11680-11687, 2009
Understanding and correcting the spurious interactions in charged supercells
SE Taylor, F Bruneval
Physical Review B 84 (7), 075155, 2011
Ionization energy of atoms obtained from GW self-energy or from random phase approximation total energies
F Bruneval
The Journal of chemical physics 136 (19), 194107, 2012
Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides
J Vidal, F Trani, F Bruneval, MAL Marques, S Botti
Physical review letters 104 (13), 136401, 2010
Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians
KT Williams, Y Yao, J Li, L Chen, H Shi, M Motta, C Niu, U Ray, S Guo, ...
Physical Review X 10 (1), 011041, 2020
An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm …
T Rangel, SM Hamed, F Bruneval, JB Neaton
The Journal of chemical physics 146 (19), 194108, 2017
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