MRCI study on electronic spectrum of several low-lying electronic states of the SiO+ cation
β Scribed by Deheng Shi; Wentao Li; Wei Xing; Jinfeng Sun; Zunlue Zhu; Yufang Liu
- Book ID
- 116380041
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 359 KB
- Volume
- 980
- Category
- Article
- ISSN
- 2210-271X
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The potential energy curves of the SiO Ο© cation for the low-lying electronic states, correlating to the first two lowest dissociation channels (Si Ο© ( 2 P u ) Ο© O( 3 P g ) and Si Ο© ( 2 P u ) Ο© O( 1 D g )), have been calculated at the internally contracted multireference configuration interaction (CM
## Relativistic CI calculations on the low-lying states of BiF(O+, 1, 2, O+ (II)) arising from the Q\*P\* configuration are carried out. Comparison calculations of the X-s states without spin-orbit interaction (3Z-, IX+ and 'A) are also presented. These calculations enable the assignment of three