Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals

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https://hal.univ-lorraine.fr/hal-02196449
Contributor : Alessandro Genoni <>
Submitted on : Sunday, July 28, 2019 - 6:33:24 PM
Last modification on : Monday, July 29, 2019 - 1:16:37 AM

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Alessandro Genoni, Arianna Fornili, Maurizio Sironi. Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals. Journal of Computational Chemistry, Wiley, 2005, 26 (8), pp.827-835. ⟨10.1002/jcc.20213⟩. ⟨hal-02196449⟩

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