Non-adiabatic transitions in the condensed phase. Derivation of multichannel Fokker-Planck equations from quantum relaxation theory

被引:10
作者
Basilevsky, MV [1 ]
Voronin, AI [1 ]
机构
[1] RAS,INST PHYS CHEM,CHERNOGOLOVKA 142432,MOSCOW,RUSSIA
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1997年 / 93卷 / 05期
关键词
D O I
10.1039/a606738g
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new formalism is proposed for the derivation of multichannel Fokker-Planck equations describing reactive processes in the condensed phase. It is based upon the method of quantum-classical reduction for the dynamical and relaxation parts of the general equation of quantum relaxation theory. In this way, the multilevel non-Markov Fokker-Planck and Smoluchovsky-type equations are obtained taking into account the non-adiabatic dynamics of the system. These equations include memory effects with a generalization of the non-local relaxation kernel beyond the high-temperature approximation. The formulation of the balance equations describing the kinetics of non-adiabatic reactions in polar solvents is examined and the prospects of deriving corresponding rate expressions are discussed.
引用
收藏
页码:989 / 996
页数:8
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