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- W1999332364 abstract "The effective equations of motion (EOM) for the π → π* transitions of conjugated molecules explicitly show the effect of the σ–π correlations. Writing the EOM in terms of the one- and two-center Coulomb repulsion integrals in the ZDO approximation for the ethylene molecule, we show that only the one-center integral is significantly reduced due to the σ–π correlations but the two-center integral remains unaffected." @default.
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- W1999332364 date "1990-09-01" @default.
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- W1999332364 title "On the Coulomb repulsion integrals used in the parametrized equations-of-motion method for π → π* transitions" @default.
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- W1999332364 doi "https://doi.org/10.1016/0009-2614(90)80145-4" @default.
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