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An application of RPA theory to conjugated systems in the excited states

✍ Scribed by Kazuo Kitaura; Kichisuke Nishimoto

Publisher
Springer
Year
1973
Tongue
English
Weight
207 KB
Volume
31
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Treatment of excited states in the CASSC
Treatment of excited states in the CASSCF method: Application to BO
✍ J. AlmlΓΆf; A. V. Nemukhin; A. Heiberg πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 587 KB

## Abstract The CASSCF method has been applied to some excited states of the BO molecule. Only portions of the full potential curves could be obtained with the help of the usual two‐step procedure. It was possible to complete the curves and to consider other excited states by using an averaged fiel