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CI study of geometrical relaxation in the ground and excited singlet and triplet states of unprotonated Schiff bases: allylidenimine and formaldimine

✍ Scribed by Bonacic-Koutecky, V.; Persico, M.

Book ID
127237372
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
945 KB
Volume
105
Category
Article
ISSN
0002-7863

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Cluster expansion of the wave function.
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✍ Hiroshi Nakatsuji; Kimihiko Hirao πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 597 KB

## Abstract The symmetry‐adapted‐cluster (SAC) and SAC–CI theories reported previously have been applied to the study of electron correlations in ground state, singlet and triplet excited states, ionized state, and electron attached state. Formulas for calculations of one‐electron properties and tr