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Ab initio study of some doublet excited states of AlH2

✍ Scribed by Jian-Ping Gu; Fanao Kong; Ming-Bao Huang; Song-Hao Liu


Book ID
113257462
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
663 KB
Volume
228
Category
Article
ISSN
0166-1280

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Ab initio calculations of doublet states
✍ Isao Kusunoki; Koichi Yamashita; Keiji Morokuma πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 367 KB

The eight low-lying doublet states of the NH + ion are investigated with an ab initio configuration interaction method including all single and double excitations from a multi-reference confrguration space (MRSD CI). The spectroscopic constants for the X \*II, A\*Z-, Bh and C \*IX+ states and the tr