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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⟩
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hal-00112854v1  Journal articles
Roland AssarafMichel CaffarelAnatole Khelif. The Fermion Monte Carlo revisited
Journal of Physics A: Mathematical and Theoretical, IOP Publishing, 2007, 40 (6), pp.1181-1214. ⟨10.1088/1751-8113/40/6/001⟩
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-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-00875637v1  Book sections
Anthony ScemamaMichel CaffarelEmmanuel OseretWilliam Jalby. QMC=Chem: A Quantum Monte Carlo Program for Large-Scale Simulations in Chemistry at the Petascale Level and beyond
High Performance Computing for Computational Science - VECPAR 2012, Springer Berlin Heidelberg, pp.118-127, 2013, Lecture Notes in Computer Science, 978-3-642-38717-3. ⟨10.1007/978-3-642-38718-0_14⟩
hal-00875641v1  Book sections
Antonio MonariAnthony ScemamaMichel Caffarel. Large-Scale Quantum Monte Carlo Electronic Structure Calculations on the EGEE Grid
Remote Instrumentation for eScience and Related Aspects, Springer New York, pp.195-207, 2012, 978-1-4614-0507-8. ⟨10.1007/978-1-4614-0508-5_13⟩
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⟩
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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-00876862v1  Journal articles
Michel CaffarelAnthony Scemama. Simulations en chimie : l'approche Monte-Carlo quantique
HPC magazine, HPC Media, 2013, pp.P. 44
hal-01539075v1  Reports
Michel CaffarelRoland AssarafAnatole KhelifAnthony ScemamaAlejandro Ramirez-Solis. A few aspects of QMC for molecules
[Research Report] Oberwolfach Mathematisches Forschunginstitut. 2006, pp.7
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-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-00967922v1  Book sections
Alejandro Ramirez-SolisMichel Caffarel. The application of quantum Monte Carlo to the spectroscopy of metallic molecules
Ramon Hernandez-Lamoneda. Beyond Standard Quantum Chemistry: Applications from Gas to Condensed Phases, Transworld Research Kerala, India, pp.1-18, 2007, 978-81-7895-293-2
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