B-3 Sigma(-)(u)-X-3 Sigma(-)(g) transition in selenium dimer: ab initio multireference configuration interaction calculations

	B-3 Sigma(-)(u)-X-3 Sigma(-)(g) transition in selenium dimer: ab initio multireference configuration interaction calculations
其他题名	论文其他题名
	Yan B.; Liu L. L.; Wei C. L.; Guo J.; Zhang Y. J.
	2011
发表期刊	Chinese Physics B
ISSN	1674-1056
卷号	20 期号:4
摘要	Theoretical investigation of low-lying electronic states and B-3 Sigma(-)(u)-X-3 Sigma(-)(g) transition properties of selenium dimer using size-extensivity singly and doubly excitation multireference configuration interaction theory with nonrelativistic all-electron basis set and relativistic effective core potential plus its split valence basis set is presented in this paper. The spectroscopic constants of ten low-lying A S bound states have been obtained and compared with experiments. Spin orbit calculations for coupling between B-3 Sigma(-)(u) sates and repulsive (1)Pi(u), (5)Pi(u) states have been made to interpret the predissociation mechanisms of the B-3 Sigma(-)(u) state. The lifetimes of B-3 Sigma(-)(u) (v = 0 similar to 6) have been calculated with scalar relativistic effects included or excluded, respectively, and reasonably agree with experimental values.
收录类别	SCI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/24714
专题	中科院长春光机所知识产出
推荐引用方式 GB/T 7714	Yan B.,Liu L. L.,Wei C. L.,et al. B-3 Sigma(-)(u)-X-3 Sigma(-)(g) transition in selenium dimer: ab initio multireference configuration interaction calculations[J]. Chinese Physics B,2011,20(4).
APA	Yan B.,Liu L. L.,Wei C. L.,Guo J.,&Zhang Y. J..(2011).B-3 Sigma(-)(u)-X-3 Sigma(-)(g) transition in selenium dimer: ab initio multireference configuration interaction calculations.Chinese Physics B,20(4).
MLA	Yan B.,et al."B-3 Sigma(-)(u)-X-3 Sigma(-)(g) transition in selenium dimer: ab initio multireference configuration interaction calculations".Chinese Physics B 20.4(2011).

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