Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals

Michel Caffarel 1
1 Méthodes et outils de la chimie quantique (LCPQ)
LCPQ - Laboratoire de Chimie et Physique Quantiques
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Submitted on : Friday, September 20, 2019 - 9:26:26 AM
Last modification on : Friday, October 11, 2019 - 8:23:17 PM

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Michel Caffarel. Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals. Journal of Chemical Physics, American Institute of Physics, 2019, 151 (6), pp.064101. ⟨10.1063/1.5114703⟩. ⟨hal-02292638⟩

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