ROLE OF INERTIAL EFFECTS IN ELECTRON-TRANSFER KINETICS

The electron transfer rates at the steady state are evaluated in terms of the Gaussian wave packet motion on free energy curves in the two- and three-surface models in the presence of inertial effects. The auto correlation functions of the solvent polarization coordinate are fitte d to the results of recent molecular dynamics simulations. It is found that the inertial effects are particularly important for the electron transfer processes in acetonitrile and water. They constitute an impe ding factor in the wave packet motion. The neglect of the inertial par t of the solvent autocorrelation function gives underestimation of the electron transfer rate coefficient.