Ab initio study of the mixing of valence and Rydberg states in O2: CI potential curves for the3Σu−,3Δu and3Πu states
✍ Scribed by Robert J. Buenker; Sigrid D. Peyerimhoff
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 691 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
Ab initio contiguration-interaction calculations using a 9sSpl3s2p gaussian basis supplemented with polarization functions are presented for potential curves for the a 'Z+and the louest 3~ state of CN+\_ The txxo states arc very close in energy and calculations at this ievel do not give an unequivoc
## Lehruuhl firr 77worctische Chcrruc, Gcsurntizoc~~sciru( Wppertal. D-5600 rVuppertaI-Elhcrfef~. tiermany KcLcivctl 24 hlsy 1977 Ab initio SCF dntl CI calculations arc reported for the C3 molcculc using a basis set of doublc-rcta plus polanzation quality. Potcntinl curvc5 arc obt.Grcd for tlrc cy