AN ANALYTICAL AND NUMERICAL INVESTIGATION OF MULTIPLET CIDEP

A detailed analysis of the accuracy of the analytical expressions for the chemically induced dynamical electron polarization (CIDEP) generated in radical pair (RP) recombination is performed by comparison with very accurate numerical calculations. The numerical results are obtained by a direct numerical solution of the stochastic Liouville equation. A large variety of limiting cases corresponding to different relations between the parameters of the problems are analyzed. For example, strong and weak exchange interactions, low and high reactivity of RPs, etc. The dependences of CIDEP on spin-lattice relaxation in the radicals and other dephasing processes are also considered. The analyses of the accuracy is accompanied by a short discussion of the basic concepts of the theory and, in particular, the important concept of effective radii of the spin ''change relaxation and the reactivity. New expressions were derived to correctly describe the slow diffusion region in the weak exchange interaction limit. It is shown that the analytical formulae reproduce the numerical results with a very high accuracy for all realistic values of the parameters.