A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method
文献类型：期刊论文
| 作者 | Shi, Qiang1; Geva, Eitan2,3 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2009-07-21 |
| 卷号 | 131期号:3 |
| 关键词 | Charge Exchange Friction Liouville Equation Reaction Kinetics Theory |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.3176509 |
| 英文摘要 | Electron transfer is investigated at the limit of strong friction. The analysis is based on the generic model of a two-state system bilinearly coupled to a harmonic bath. The dynamics is described within the framework of the mixed quantum classical Liouville (MQCL) equation, which is known to be exact for this model. In the case of zero electronic coupling, it is shown that while the dynamics of the electronic populations can be described by a Markovian quantum Smoluchowski equation, that of the electronic coherences are inherently non-Markovian. A non-Markovian modified Zusman equation is derived in the presence of electronic coupling and shown to be self-consistent in cases where the standard Zusman equation is not. |
| 语种 | 英语 |
| WOS记录号 | WOS:000268206800045 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67955]  |
| 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, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China 2.Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA 3.Univ Michigan, FOCUS Ctr, Ann Arbor, MI 48109 USA |
| 推荐引用方式 GB/T 7714 | Shi, Qiang,Geva, Eitan. A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method[J]. JOURNAL OF CHEMICAL PHYSICS,2009,131(3). |
| APA | Shi, Qiang,&Geva, Eitan.(2009).A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method.JOURNAL OF CHEMICAL PHYSICS,131(3). |
| MLA | Shi, Qiang,et al."A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method".JOURNAL OF CHEMICAL PHYSICS 131.3(2009). |
入库方式： OAI收割
来源：化学研究所
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