SAC-CI and full-CI calculations for the
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Hiroshi Nakatsuji; Kimihiko Hirao; Yoshihiro Mizukami
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Article
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1991
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Elsevier Science
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English
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The accuracy of the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of Hz0 by comparison with the full-Cl results for the [4s2p] basis set. The SAC-C1 results for the excitation energy agree with the full-Cl results to within