A new time evolving Gaussian series representation of the imaginary time propagator
文献类型：期刊论文
| 作者 | Shao, Jiushu; Pollak, Eli |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2006-10-07 |
| 卷号 | 125期号:13 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.2207142 |
| 英文摘要 | Frantsuzov and Mandelshtam [J. Chem. Phys. 121, 9247 (2004)] have recently demonstrated that a time evolving Gaussian approximation (TEGA) to the imaginary time propagator exp(-beta H) is useful for numerical computations of anharmonically coupled systems with many degrees of freedom. In this paper we derive a new exact series representation for the imaginary time propagator whose leading order term is the TEGA. One can thus use the TEGA not only as an approximation but also to obtain the exact imaginary time propagator. We also show how the TEGA may be generalized to provide a family of TEGA's. Finally, we find that the equations of motion governing the evolution of the center and width of the Gaussian may be thought of as introducing a quantum friction term to the classical evolution equations. (c) 2006 American Institute of Physics. |
| 语种 | 英语 |
| WOS记录号 | WOS:000241056600068 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/58959]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shao, Jiushu |
| 作者单位 | 1.Weizmann Inst Sci, Dept Phys Chem, IL-76100 Rehovot, Israel 2.Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China 3.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shao, Jiushu,Pollak, Eli. A new time evolving Gaussian series representation of the imaginary time propagator[J]. JOURNAL OF CHEMICAL PHYSICS,2006,125(13). |
| APA | Shao, Jiushu,&Pollak, Eli.(2006).A new time evolving Gaussian series representation of the imaginary time propagator.JOURNAL OF CHEMICAL PHYSICS,125(13). |
| MLA | Shao, Jiushu,et al."A new time evolving Gaussian series representation of the imaginary time propagator".JOURNAL OF CHEMICAL PHYSICS 125.13(2006). |
入库方式： OAI收割
来源：化学研究所
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