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Derniers dépôts
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Abdallah Ammar, Anthony Scemama, Emmanuel Giner. Biorthonormal orbital optimization with a cheap core-electron free three-body correlation factor for Quantum Monte Carlo and Transcorrelation. Journal of Chemical Theory and Computation, 2023, 19 (15), pp.4883-4896. ⟨10.1021/acs.jctc.3c00257⟩. ⟨hal-04020133⟩