| Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020 | 902 | 2020 |
| Electrostatic potential derived atomic charges for periodic systems using a modified error functional C Campañá, B Mussard, TK Woo Journal of Chemical Theory and Computation 5 (10), 2866-2878, 2009 | 383 | 2009 |
| Cheap and near exact CASSCF with large active spaces JET Smith, B Mussard, AA Holmes, S Sharma Journal of chemical theory and computation 13 (11), 5468-5478, 2017 | 200 | 2017 |
| 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 | 116 | 2020 |
| ET; Sun, C.; Sun, S Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... N, 0 | 91 | |
| One-step treatment of spin–orbit coupling and electron correlation in large active spaces B Mussard, S Sharma Journal of chemical theory and computation 14 (1), 154-165, 2018 | 54 | 2018 |
| Basis convergence of range-separated density-functional theory O Franck, B Mussard, E Luppi, J Toulouse The Journal of Chemical Physics 142 (7), 2015 | 54 | 2015 |
| Gaussian continuum basis functions for calculating high‐harmonic generation spectra E Coccia, B Mussard, M Labeye, J Caillat, R Taïeb, J Toulouse, E Luppi International Journal of Quantum Chemistry 116 (14), 1120-1131, 2016 | 47 | 2016 |
| Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights B Mussard, P Reinhardt, JG Ángyán, J Toulouse The Journal of chemical physics 142 (15), 154123, 2015 | 41 | 2015 |
| Dielectric matrix formulation of correlation energies in the Random Phase Approximation (RPA): inclusion of exchange effects B Mussard, D Rocca, G Jansen, JG Ángyán | 39 | 2016 |
| Short range DFT combined with long-range local RPA within a range-separated hybrid DFT framework E Chermak, B Mussard, JG Angyan, P Reinhardt Chemical Physics Letters 550, 162-169, 2012 | 32 | 2012 |
| Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method S Śmiga, O Franck, B Mussard, A Buksztel, I Grabowski, E Luppi, ... The Journal of chemical physics 145 (14), 2016 | 31 | 2016 |
| Analytical energy gradients in range-separated hybrid density functional theory with random phase approximation B Mussard, PG Szalay, JG Angyan Journal of Chemical Theory and Computation 10 (5), 1968-1979, 2014 | 30 | 2014 |
| Fractional-charge and fractional-spin errors in range-separated density-functional theory B Mussard, J Toulouse Molecular Physics 115 (1-2), 161-173, 2017 | 26 | 2017 |
| Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations C Kalai, B Mussard, J Toulouse The Journal of Chemical Physics 151 (7), 2019 | 24 | 2019 |
| Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method S Smiga, I Grabowski, M Witkowski, B Mussard, J Toulouse Journal of Chemical Theory and Computation 16 (1), 211-223, 2019 | 21 | 2019 |
| Time-dependent linear-response variational Monte Carlo B Mussard, E Coccia, R Assaraf, M Otten, CJ Umrigar, J Toulouse Advances in quantum chemistry 76, 255-270, 2018 | 9 | 2018 |
| Simons Collaboration on the Many-Electron Problem KT Williams, Y Yao, J Li, L Chen, H Shi, M Motta, C Niu, U Ray, S Guo, ... Phys. Rev. X 10 (1), 60, 2020 | 7 | 2020 |
| Erratum:“Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights”[J. Chem. Phys. 142, 154123 (2015)] B Mussard, P Reinhardt, JG Ángyán, J Toulouse The Journal of Chemical Physics 142 (21), 2015 | 6 | 2015 |
| Relationships between charge density response functions, exchange holes and localized orbitals B Mussard, JG Ángyán Computational and Theoretical Chemistry 1053, 44-52, 2015 | 5 | 2015 |
Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, Franceยืนยันอีเมลแล้วที่ lct.jussieu.fr