4.7 Article

A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 131, 期 3, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3176509

关键词

charge exchange; friction; Liouville equation; reaction kinetics theory

资金

  1. National Natural Science Foundation of China [20733006, 20873157]
  2. Chinese Academy of Sciences [KJCX2.YW.H17]
  3. National Science Foundation [CHE-0809506]
  4. Direct For Mathematical & Physical Scien [0809506] Funding Source: National Science Foundation
  5. Division Of Chemistry [0809506] Funding Source: National Science Foundation

向作者/读者索取更多资源

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.

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