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

Alessandro Genoni 1 Arianna Fornili 1 Maurizio Sironi 1
1 Dipartimento di Chimica fisica ed Elettrochimica
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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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