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A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule SiB

✍ Scribed by Ornellas, Fernando R.; Iwata, Suehiro

Book ID
120657230
Publisher
American Institute of Physics
Year
1997
Tongue
English
Weight
518 KB
Volume
107
Category
Article
ISSN
0021-9606

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✍ Wei-hai Fang; Xiao-zeng You; Zhen Yin πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 395 KB

The structures and properties of the ground and low-lying excited states of Li2H have been investigated by ab initio calculation. The UMP2-0ptimized geometry of ground-state Li2H is in agreement with experiment. Properties of the excited 2B2 and 2A 2 states have been predicted, based on UMP2-0ptimiz