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 | 2904 | 2009 |
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 | 183 | 2014 |
Accurate and efficient linear scaling DFT calculations with universal applicability S Mohr, LE Ratcliff, L Genovese, D Caliste, P Boulanger, S Goedecker, ... Physical Chemistry Chemical Physics 17 (47), 31360-31370, 2015 | 144 | 2015 |
Daubechies wavelets for linear scaling density functional theory S Mohr, LE Ratcliff, P Boulanger, L Genovese, D Caliste, T Deutsch, ... The Journal of chemical physics 140 (20), 2014 | 128 | 2014 |
M. oliveira, G. Onida, Y. Pouillon, T. Rangel, G X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ... M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. Verstaete, G. Zerah, J …, 2009 | 126 | 2009 |
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 | 125 | 2014 |
Excited states properties of organic molecules: from density functional theory to the GW and Bethe–Salpeter Green's function formalisms C Faber, P Boulanger, C Attaccalite, I Duchemin, X Blase Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 125 | 2014 |
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 | 120 | 2014 |
Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules S Körbel, P Boulanger, I Duchemin, X Blase, MAL Marques, S Botti Journal of chemical theory and computation 10 (9), 3934-3943, 2014 | 107 | 2014 |
Theoretical approaches to the temperature and zero‐point motion effects on the electronic band structure X Gonze, P Boulanger, M Côté Annalen der Physik 523 (1‐2), 168-178, 2011 | 105 | 2011 |
Theory of tunnel ionization in complex systems T Brabec, M Côté, P Boulanger, L Ramunno Physical review letters 95 (7), 073001, 2005 | 105 | 2005 |
Fast and accurate electronic excitations in cyanines with the many-body Bethe–Salpeter approach P Boulanger, D Jacquemin, I Duchemin, X Blase Journal of Chemical Theory and Computation 10 (3), 1212-1218, 2014 | 96 | 2014 |
Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide C Faber, P Boulanger, I Duchemin, C Attaccalite, X Blase The Journal of chemical physics 139 (19), 2013 | 61 | 2013 |
GW and Bethe-Salpeter study of small water clusters X Blase, P Boulanger, F Bruneval, M Fernandez-Serra, I Duchemin The Journal of Chemical Physics 144 (3), 2016 | 41 | 2016 |
Exploring approximations to the self-energy ionic gradients C Faber, P Boulanger, C Attaccalite, E Cannuccia, I Duchemin, T Deutsch, ... Physical Review B 91 (15), 155109, 2015 | 40 | 2015 |
Ab initio study of ladder-type polymers: Polythiophene and polypyrrole S Pesant, P Boulanger, M Côté, M Ernzerhof Chemical Physics Letters 450 (4-6), 329-334, 2008 | 37 | 2008 |
Combining the Bethe–Salpeter formalism with time-dependent DFT excited-state forces to describe optical signatures: NBO fluoroborates as working examples P Boulanger, S Chibani, B Le Guennic, I Duchemin, X Blase, ... Journal of Chemical Theory and Computation 10 (10), 4548-4556, 2014 | 35 | 2014 |
Tunable magnetic states in hexagonal boron nitride sheets E Machado-Charry, P Boulanger, L Genovese, N Mousseau, P Pochet Applied Physics Letters 101 (13), 2012 | 33 | 2012 |
Selecting boron fullerenes by cage-doping mechanisms P Boulanger, M Morinière, L Genovese, P Pochet The Journal of chemical physics 138 (18), 2013 | 32 | 2013 |
Peierls instability in carbon nanotubes: A first-principles study G Dumont, P Boulanger, M Cote, M Ernzerhof Physical Review B 82 (3), 035419, 2010 | 30 | 2010 |