Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect

doi:10.1007/s11426-008-0130-4

CORC > 化学研究所 > 中国科学院化学研究所

	Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect
	Niu YingLi 2; Peng Qian 2; Shuai ZhiGang 1,2
刊名	SCIENCE IN CHINA SERIES B-CHEMISTRY
	2008-12-01
卷号	51 期号:12 页码:1153-1158
关键词	Duschinsky Rotation Radiationless Decay Correlation Function Path Integral Promoting-mode Free
ISSN号	1006-9291
DOI	10.1007/s11426-008-0130-4
英文摘要	In the present work, through the path integral of Gaussian type correlation function, a new formalism based on Fermi-Golden Rule for calculating the rate constant of nonradiative decay process with Duschinsky rotation effect in polyatomic molecules is developed. The advantage of the present path-integral formalism is promoting-mode free. In order to get the rate constant, a "transition rate matrix" needs to be calculated. The rate constant calculated previously is only an approximation of diagonal elements of our "transition rate matrix". The total rate should be the summation over all the matrix elements.
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000261427100004
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/63739]
专题	中国科学院化学研究所
通讯作者	Shuai ZhiGang
作者单位	1.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Organ Solids, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Niu YingLi,Peng Qian,Shuai ZhiGang. Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2008,51(12):1153-1158.
APA	Niu YingLi,Peng Qian,&Shuai ZhiGang.(2008).Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect.SCIENCE IN CHINA SERIES B-CHEMISTRY,51(12),1153-1158.
MLA	Niu YingLi,et al."Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect".SCIENCE IN CHINA SERIES B-CHEMISTRY 51.12(2008):1153-1158.