Prefactor-free forward-backward semiclassical dynamics
文献类型：期刊论文
| 作者 | Yan, YA; Shao, J |
| 刊名 | JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
 |
| 出版日期 | 2003-09-01 |
| 卷号 | 2期号:3页码:419-437 |
| 关键词 | Semiclassical Approximation Van Vleck Propagator Initial Value Representation Herman-kluk Propagator Forward-backward Semiclassical Dynamics |
| ISSN号 | 0219-6336 |
| 英文摘要 | Within 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000220867200008 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/81263]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yan, YA |
| 作者单位 | Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：化学研究所
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