The probability of the quantum-diffusion-controlled reaction of a species pair

Abstract

The kinetics of diffusion-controlled bimolecular reaction A + B→P (products) is investigated in the case when the motion of the diffusing particle is governed by the quantum Markovian master equation for a density matrix in the site representation. In the framework of the discrete model of random walks, definitions are given of the survival and reaction probabilities for a pair of particle species A and B and of the rate constant. A method for calculating these quantities is proposed. Formulae are obtained for the survival and reaction probabilities and the rate constant, corresponding to chemical interaction between the particles only when they are at one and the same site.