## Abstract __Ab initio__ calculations on the low‐lying electronic states of SiF^+^ are performed using the internally contracted multireference configuration interaction method with the Davidson correction and entirely uncontracted aug‐cc‐pV5Z basis set. The effects of spin‐orbit coupling are acco
Extensive Theoretical Study on Various Low-Lying Electronic States of Silicon Monochloride Cation Including Spin−Orbit Coupling
✍ Scribed by Liu, Kun; Yu, Le; Bian, Wensheng
- Book ID
- 125952423
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 187 KB
- Volume
- 113
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The global potential energy curves for the 14 low‐lying doublet and quartet Λ‐S states of InCl^+^ are calculated at the scalar relativistic MR‐CISD+Q (multireference configuration interaction with single and double excitations, and Davidson's correction) level of theory. Spin‐orbit coup
The potential energy curves of the 69 X states generated from the 24 L-S states of sulfur monoxide are calculated for the first time using the internally contracted multireference configuration interaction method with the Davidson correction and the entirely uncontracted aug-cc-pV5Z basis set. Spin-