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 | 2969 | 2009 |
A brief introduction to the ABINIT software package X Gonze Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 558-562, 2005 | 1265 | 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 | 809 | 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 | 521 | 2020 |
Effect of self-consistency on quasiparticles in solids F Bruneval, N Vast, L Reining Physical Review B 74 (4), 045102, 2006 | 316 | 2006 |
Understanding correlations in vanadium dioxide from first principles M Gatti, F Bruneval, V Olevano, L Reining Physical review letters 99 (26), 266402, 2007 | 310 | 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 | 268 | 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 | 259 | 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 | 236 | 2020 |
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 | 202 | 2005 |
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 | 199 | 2013 |
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 | 170 | 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 | 165 | 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 | 151 | 2006 |
Understanding and correcting the spurious interactions in charged supercells SE Taylor, F Bruneval Physical Review B 84 (7), 075155, 2011 | 149 | 2011 |
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 | 142 | 2009 |
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 | 122 | 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 | 108 | 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 | 104 | 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 | 99 | 2017 |