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hal-01945031v1  Journal articles
Pierre-Francois LoosMartial Boggio-PasquaAnthony ScemamaMichel CaffarelDenis Jacquemin. Reference Energies for Double Excitations
Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (3), pp.1939-1956. ⟨10.1021/acs.jctc.8b01205⟩
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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⟩
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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⟩
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hal-01679416v1  Journal articles
Anthony ScemamaYann GarnironMichel CaffarelPierre-Francois Loos. Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS
Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (3), pp.1395-1402. ⟨10.1021/acs.jctc.7b01250⟩
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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-02475410v1  Journal articles
Pierre-Francois LoosAnthony ScemamaIvan DucheminDenis JacqueminXavier Blase. Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies
Journal of Physical Chemistry Letters, American Chemical Society, 2020, 11 (9), pp.3536-3545. ⟨10.1021/acs.jpclett.0c00460⟩
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hal-01539073v1  Reports
Anthony Scemama. IRPF90: a programming environment for high performance computing
[Research Report] CNRS; Université Paul Sabatier - Toulouse (France). 2009
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hal-02462160v1  Reports
Anthony Scemama. IRPF90
[Research Report] CNRS; Université Paul Sabatier (Toulouse 3). 2018
hal-02022709v1  Book sections
Pierre-Francois LoosAnthony ScemamaMichel Caffarel. Self-Consistent Electron-Nucleus Cusp Correction for Molecular Orbitals
Lorenzo Ugo Ancarani, Philip E. Hoggan. Advances in Quantum Chemistry, 79, pp.113-132, 2019, State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, ⟨10.1016/bs.aiq.2019.03.003⟩
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hal-02922278v2  Journal articles
Pierre-Francois LoosYann DamourAnthony Scemama. The performance of CIPSI on the ground state electronic energy of benzene
Journal of Chemical Physics, American Institute of Physics, 2020, 153 (17), pp.176101. ⟨10.1063/5.0027617⟩
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hal-02921286v1  Journal articles
Anthony ScemamaEmmanuel GinerAnouar BenaliPierre-Francois Loos. Taming the fixed-node error in diffusion Monte Carlo via range separation
Journal of Chemical Physics, American Institute of Physics, 2020, 15 (17), pp.174107. ⟨10.1063/5.0026324⟩