## Abstract __Ab initio__ calculations on the lowβlying electronic states of SiF^+^ are performed using the internally contracted multireference configuration interaction method with the Davidson correction and entirely uncontracted augβccβpV5Z basis set. The effects of spinβorbit coupling are acco
The electronic states of silicon monofluoride: Low-lying valence states
β Scribed by J.M. Robbe
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 258 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0022-2852
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The spectroscopic constants for the triplet and singlet states of LiB below about 30000 cm-~ are determined using an intemally contracted multireference configuration-interaction approach. The ground state is 311 as found in previous work. Transitions between the 311 state and the (1)3E-, (2)3II, an
Much work has been devoted in the past to the spectroscopy of transition metal monohalides, essentially because they are of considerable interest in the fields of catalytic chemistry and high-temperature chemistry. In particular, diatomic compounds of group IIIb atoms, Sc, Y, and La, were the best s