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Journal Articles Journal of Computational Chemistry Year : 2005

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

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hal-02196449 , version 1 (27-05-2020)

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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, 2005, 26 (8), pp.827-835. ⟨10.1002/jcc.20213⟩. ⟨hal-02196449⟩

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