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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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
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
Scemama A, Garniron Y, Caffarel M, et al. (2018) Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS. Journal of Chemical Theory and Computation
Garniron Y, Scemama A, Loos PF, et al. (2017) Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory. The Journal of Chemical Physics. 147: 034101
Caffarel M, Applencourt T, Giner E, et al. (2016) Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule. The Journal of Chemical Physics. 144: 151103
Scemama A, Applencourt T, Giner E, et al. (2016) Quantum Monte Carlo with very large multideterminant wavefunctions. Journal of Computational Chemistry
Pakhira S, Lengeling BS, Olatunji-Ojo O, et al. (2015) A Quantum Monte Carlo Study of the Reactions of CH with Acrolein. The Journal of Physical Chemistry. A. 119: 4214-23
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