Application of multiconfigurational many-body perturbation theory to the calculation of ionization potentials,electron affinities and excitation energ |
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| Authors: | Shigeyoshi Yamamoto A Saika |
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| Institution: | Department of Chemistry, Kyoto University, Kyoto 606, Japan |
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| Abstract: | Multiconfigurational many-body perturbation theory is applied to the problem of calculating ionization potentials, electron affinities, and excitation energies. H2O, C2H4, and H2 are studied, with correlation corrections through third order and inclusive of certain higher-order terms. Results are compared with those by other many-body theoretical methods. |
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| Keywords: | Present address: Institute for Molecular Science Myodaiji Okazaki 444 Japan |
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