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- W2085809871 abstract "State-specific multireference Møller-Plesset perturbation theory has been applied to the study of valence and Rydberg excitation energies of benzene. The results compare well with experiment. The calculated valence π-π∗ excitation energies (experimental values in parentheses) are 1B2u, 4.77 (4.90), 1B1u, 6.98 (6.20), 1E1u, 6.98 (6.94) and 1E2g, 7.88 (7.80) eV. Results of similar accuracy are obtained for the valence triplet excited states. The Rydberg excitation energies are also predicted with an accuracy of 0.18 eV or better." @default.
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- W2085809871 date "1995-03-01" @default.
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- W2085809871 title "Multireference Møller-Plesset perturbation treatment for valence and Rydberg excited states of benzene" @default.
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- W2085809871 doi "https://doi.org/10.1016/0009-2614(95)00160-6" @default.
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