Michel Caffarel, Ph.D.
Affiliations: | Chemistry | Université de Toulouse / CNRS |
Area:
Theoretical ChemistryGoogle:
"Michel Caffarel"Mean distance: 11.88 | S | N | B | C | P |
Parents
Sign in to add mentorPierre Claverie | grad student | 1987 | Université Pierre et Marie Curie | |
(Méthodes d'intégration fonctionnelle et méthodes Monte Carlo pour le traitement de problèmes quantiques : application en physique atomique et moléculaire) |
Children
Sign in to add traineeRoland Assaraf | grad student | 1999 | Université Pierre et Marie Curie |
Thomas Bouabça | grad student | 2009 | Université de Toulouse |
Emmanuel Giner | grad student | 2011-2014 | Université Toulouse III - Paul Sabatier |
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Publications
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Damour Y, Quintero-Monsebaiz R, Caffarel M, et al. (2022) Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality. Journal of Chemical Theory and Computation. 19: 221-234 |
Damour Y, Véril M, Kossoski F, et al. (2021) Accurate full configuration interaction correlation energy estimates for five- and six-membered rings. The Journal of Chemical Physics. 155: 134104 |
Kossoski F, Marie A, Scemama A, et al. (2021) Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster. Journal of Chemical Theory and Computation |
Benali A, Gasperich K, Jordan KD, et al. (2020) Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond. The Journal of Chemical Physics. 153: 184111 |
Garniron Y, Applencourt T, Gasperich K, et al. (2019) Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of Chemical Theory and Computation |
Loos PF, Boggio-Pasqua M, Scemama A, et al. (2019) Reference Energies for Double Excitations. Journal of Chemical Theory and Computation |
Caffarel M. (2019) Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals The Journal of Chemical Physics. 151: 064101 |
Scemama A, Caffarel M, Benali A, et al. (2019) Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo Results in Chemistry. 1: 100002 |
Garniron Y, Scemama A, Giner E, et al. (2018) Selected configuration interaction dressed by perturbation. The Journal of Chemical Physics. 149: 064103 |
Scemama A, Benali A, Jacquemin D, et al. (2018) Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes. The Journal of Chemical Physics. 149: 034108 |