92 results  save search


...
hal-00550057v1  Book sections
Julien ToulouseMichel CaffarelPeter ReinhardtPhilip HogganC. J. Umrigar. Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet n to pi* (CO) transition in acrolein
P. E. Hoggan, J. Maruani, P. Piecuch, G. Delgado-Barrio and E. J. Brandas. Advances in the Theory of Quantum Systems in Chemistry and Physics, Springer, pp.343-351, 2011, Progress in Theoretical Chemistry and Physics, Vol. 22, ⟨10.1007/978-94-007-2076-3⟩
hal-00875620v1  Journal articles
Anthony ScemamaTony LelièvreGabriel StoltzEric CancèsMichel Caffarel. An efficient sampling algorithm for variational Monte Carlo.
Journal of Chemical Physics, American Institute of Physics, 2006, 125 (11), pp.114105. ⟨10.1063/1.2354490⟩
hal-01858534v1  Journal articles
Yann GarnironAnthony ScemamaEmmanuel GinerMichel CaffarelPierre-Francois Loos. Selected configuration interaction dressed by perturbation
Journal of Chemical Physics, American Institute of Physics, 2018, 149 (6), pp.064103. ⟨10.1063/1.5044503⟩
hal-00875887v1  Journal articles
Thomas BouabçaBenoît BraïdaMichel Caffarel. Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo
Journal of Chemical Physics, American Institute of Physics, 2010, 133 (4), pp.044111/1-044111/18. ⟨10.1063/1.3457364⟩
hal-00834703v1  Journal articles
Jean-Louis HeullyFabienne AlaryMartial Boggio-Pasqua. Spin-orbit effects on the photophysical properties of Ru(bpy)3(2+).
Journal of Chemical Physics, American Institute of Physics, 2009, 131 (18), pp.184308. ⟨10.1063/1.3254196⟩
hal-01121736v1  Journal articles
Anthony ScemamaThomas ApplencourtEmmanuel GinerMichel Caffarel. Accurate nonrelativistic ground-state energies of 3d transition metal atoms
Journal of Chemical Physics, American Institute of Physics, 2014, 141 (24), pp.244110. ⟨10.1063/1.4903985⟩
...
hal-00553700v2  Journal articles
Benoît BraïdaJulien ToulouseMichel CaffarelC. J. Umrigar. Quantum Monte Carlo with Jastrow-valence-bond wave functions
Journal of Chemical Physics, American Institute of Physics, 2011, 134 (8), pp.084108. ⟨10.1063/1.3555821⟩
hal-00876638v1  Book sections
Monique MartinezMichel Caffarel. L'esthétique quantique: un regard croisé Arts et Sciences
Laurence Roussillon-Constanty ; Philippe Murillo. Science, Fables and Chimeras: Cultural Encounters, Cambridge Scholars Publishing, pp.257-268, 2013, 978-1443848107
hal-00876862v1  Journal articles
Michel CaffarelAnthony Scemama. Simulations en chimie : l'approche Monte-Carlo quantique
HPC magazine, HPC Media, 2013, pp.P. 44