Extended MC SCF computations of the CAS SCF type have been performed on four energetically low-lying electronic states of Her?+ dications. The X 'Z + ground state is predicted to be thermodynamically stable by 0.72 eV, while the a 'II and A 'II excited states represent metastable species with barrie
A theoretical investigation of the low-lying states of the C−2 ion
✍ Scribed by Poul W. Thulstrup; Erik W. Thulstrup
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 441 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0009-2614
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