Michel Caffarel, Ph.D.

Affiliations: 
Chemistry Université de Toulouse / CNRS 
Area:
Theoretical Chemistry
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"Michel Caffarel"
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Pierre 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)
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Publications

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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
Loos PF, Scemama A, Blondel A, et al. (2018) A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks. Journal of Chemical Theory and Computation
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