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Extensive calculations on 12 Λ-S and 27 Ω states of PCl+ cation including spin–orbit coupling

✍ Scribed by Niu, Xianghong; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue


Book ID
123419277
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
899 KB
Volume
118
Category
Article
ISSN
1386-1425

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## 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