Electron-transfer . nonadiabatic solvent rate constant

We have presented several approaches to calculate the rate constants of electron transfer occurring in solvent from the weak to strong electronic couplings. In the fast solvent relaxation limit, the approach based on the nonadiabatic transition state theory can be adopted. It is related to the Marcus formula by a prefactor and referred as a modified Marcus formula. When the solvent dynamics begin to play a role, the quantum Kramers-like theory is applicable. For the case where the intramoleeular vibrational motions are much faster than the solvent motion, the extended Sumi-Mareus theory is a better ehoice. As the coherent motion of eleetron is ineorporated, such as in the organic semiconductors, the time-dependent wavepaeket diffusion approach is proposed. Several applications show that the proposed approaches, together with electronic structure calculations for the faetors eontrolling eleetron transfer, can be used to theoretically predict electron transfer rates correctly. 

---