NONADIABATIC TRANSITIONS IN THE CONDENSED-PHASE - DERIVATION OF MULTICHANNEL FOKKER-PLANCK EQUATIONS FROM QUANTUM RELAXATION THEORY

Citation
Mv. Basilevsky et Ai. Voronin, NONADIABATIC TRANSITIONS IN THE CONDENSED-PHASE - DERIVATION OF MULTICHANNEL FOKKER-PLANCK EQUATIONS FROM QUANTUM RELAXATION THEORY, Journal of the Chemical Society. Faraday transactions, 93(5), 1997, pp. 989-996
Citations number
37
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
ISSN journal
09565000
Volume
93
Issue
5
Year of publication
1997
Pages
989 - 996
Database
ISI
SICI code
0956-5000(1997)93:5<989:NTITC->2.0.ZU;2-B
Abstract
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 dy namical and relaxation parts of the general equation of quantum relaxa tion theory. In this way, the multilevel non-Markov Fokker-Planck and Smoluchovsky-type equations are obtained taking into account the non-a diabatic dynamics of the system. These equations include memory effect s with a generalization of the non-local relaxation kernel beyond the high-temperature approximation. The formulation of the balance equatio ns describing the kinetics of non-adiabatic reactions in polar solvent s is examined and the prospects of deriving corresponding rate express ions are discussed.