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SAC-CI calculations for Rydberg levels of the ammonium radical

✍ Scribed by Hirao, K.

Book ID
126956235
Publisher
American Chemical Society
Year
1984
Tongue
English
Weight
370 KB
Volume
106
Category
Article
ISSN
0002-7863

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✍ Hiroshi Nakatsuji; Kimihiko Hirao; Yoshihiro Mizukami πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 275 KB

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