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
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.