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- W1964904132 abstract "Two-photon electronic probabilities for low-lying electronic states of H2O are carried out using MCSCF quadratic response theory. Basis set dependency and electron correlation effects are investigated. The transition probabilities and polarization ratios for the first excited states of each symmetry have been calculated as a function of the laser frequencies. It is found that inclusion of the E[3] and S[3] terms in the response equations cannot be neglected for the description of the transition probabilities and polarization ratios. A comparison with previous theoretical studies is addressed." @default.
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- W1964904132 date "1993-03-01" @default.
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- W1964904132 title "Multiconfigurational quadratic response theory calculations of two-photon electronic transition probabilities of H2O" @default.
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- W1964904132 doi "https://doi.org/10.1016/0009-2614(93)89209-z" @default.
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