Complete active space MC SCF (CAS SCF) followed by second-order CI calculations are carried out on low-lying states of SeH. Spin-orbit interaction is introduced through a relativistic CI method for the 2113,2, zlI ,,z, zZ &, 3/2 (II) and 5/2 states. Spectroscopic properties of the bound states (R,,
Theoretical and Experimental Investigations of the Electronic Rydberg States of Diazomethane: Assignments and State Interactions
β Scribed by Fedorov, Igor; Koziol, Lucas; Li, Guosheng; Parr, Jessica A.; Krylov, Anna I.; Reisler, Hanna
- Book ID
- 126219107
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 282 KB
- Volume
- 111
- Category
- Article
- ISSN
- 1089-5639
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