Electron transfer dynamics: Zusman equation versus exact theory
文献类型：期刊论文
| 作者 | Shi, Qiang1; Chen, Liping1; Nan, Guangjun1; Xu, Ruixue2; Yan, YiJing3 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2009-04-28 |
| 卷号 | 130期号:16 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.3125003 |
| 英文摘要 | The Zusman equation has been widely used to study the effect of solvent dynamics on electron transfer reactions. However, application of this equation is limited by the classical treatment of the nuclear degrees of freedom. In this paper, we revisit the Zusman equation in the framework of the exact hierarchical equations of motion formalism, and show that a high temperature approximation of the hierarchical theory is equivalent to the Zusman equation in describing electron transfer dynamics. Thus the exact hierarchical formalism naturally extends the Zusman equation to include quantum nuclear dynamics at low temperatures. This new finding has also inspired us to rescale the original hierarchical equations and incorporate a filtering algorithm to efficiently propagate the hierarchical equations. Numerical exact results are also presented for the electron transfer reaction dynamics and rate constant calculations. (C) 2009 American Institute of Physics. DOI: 10.1063/1.3125003] |
| 语种 | 英语 |
| WOS记录号 | WOS:000266885200052 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66465]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shi, Qiang |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China 3.Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shi, Qiang,Chen, Liping,Nan, Guangjun,et al. Electron transfer dynamics: Zusman equation versus exact theory[J]. JOURNAL OF CHEMICAL PHYSICS,2009,130(16). |
| APA | Shi, Qiang,Chen, Liping,Nan, Guangjun,Xu, Ruixue,&Yan, YiJing.(2009).Electron transfer dynamics: Zusman equation versus exact theory.JOURNAL OF CHEMICAL PHYSICS,130(16). |
| MLA | Shi, Qiang,et al."Electron transfer dynamics: Zusman equation versus exact theory".JOURNAL OF CHEMICAL PHYSICS 130.16(2009). |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。