ICCAS OpenIR
Prefactor-free forward-backward semiclassical dynamics
Yan, YA; Shao, J
2003-09-01
Source PublicationJOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
ISSN0219-6336
Volume2Issue:3Pages:419-437
AbstractWithin a differential expression of the Heisenberg operator, the forward and backward evolution can be joined together along a closed time contour. This manipulation leads to a dramatic cancellation of oscillations due to the two individual propagators in the Heisenberg operator and the resulting forward-backward propagator is more tractable to semiclassical approximations. This article gives a detailed description of the forward-backward semiclassical dynamics (FBSD) formalism. The semiclassical propagators, especially those of the initial value representations (IVRs), are briefly discussed. The derivation of the FBSD based on the Herman-Kluk propagator is reviewed. Different FBSD formulations with other semiclassical IVRs are worked out and numerical calculations show that they are also capable of describing quantum dynamics semiquantitatively and all display accuracy similar to the classical Wigner method.
KeywordSemiclassical Approximation Van Vleck Propagator Initial Value Representation Herman-kluk Propagator Forward-backward Semiclassical Dynamics
Indexed BySCI
Language英语
WOS IDWOS:000220867200008
PublisherWORLD SCIENTIFIC PUBL CO PTE LTD
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/81264
Collection中国科学院化学研究所
Corresponding AuthorYan, YA
AffiliationChinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Yan, YA,Shao, J. Prefactor-free forward-backward semiclassical dynamics[J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,2003,2(3):419-437.
APA Yan, YA,&Shao, J.(2003).Prefactor-free forward-backward semiclassical dynamics.JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,2(3),419-437.
MLA Yan, YA,et al."Prefactor-free forward-backward semiclassical dynamics".JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 2.3(2003):419-437.
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