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Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect
Niu YingLi2; Peng Qian2; Shuai ZhiGang1,2
2008-12-01
Source PublicationSCIENCE IN CHINA SERIES B-CHEMISTRY
ISSN1006-9291
Volume51Issue:12Pages:1153-1158
AbstractIn 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.
KeywordDuschinsky Rotation Radiationless Decay Correlation Function Path Integral Promoting-mode Free
DOI10.1007/s11426-008-0130-4
Indexed BySCI ; ISTP
Language英语
WOS IDWOS:000261427100004
PublisherSCIENCE PRESS
Citation statistics
Cited Times:53[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/63740
Collection中国科学院化学研究所
Corresponding AuthorShuai ZhiGang
Affiliation1.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
Recommended Citation
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.
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