Advanced TDDFT II (NM) - TDDFT.org
Advanced TDDFT II (NM) - TDDFT.org
Advanced TDDFT II (NM) - TDDFT.org
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When are states of double-excitation character important?(i) Some molecules eg short-chain polyenesLowest-lying excitations notoriously difficult to calculate due to significant doubleexcitationcharacter.Cave, Zhang, Maitra, Burke, CPL (2004)Mazur, Wlodarczyk, J. Comp. Chem. (2008) – fuller analysis, implementation in Niedoda
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