Electron Transfer Dynamics in Solution Using Imaginary-time Split Operator Approach
- Received Date: 2006-08-21
Abstract: An imaginary-time split operator approach is proposed to study electron transfer (ET) dynamics using Sumi-Marcus theory. The approach is applied to evaluate the intermolecular ET rate between oxazine 1 and N,N-dimethlaniline. By measuring the two average survival times of the donor state probability and the rate constant in long time limit, the full kinetics of the ET is revealed with a variety of sink functions. Several new properties for the ET have been found in numerical simulations.
|Citation:||Wen-juan Zhu, Miao-miao Han, Yi Zhao. Electron Transfer Dynamics in Solution Using Imaginary-time Split Operator Approach[J]. Chinese Journal of Chemical Physics , 2007, 20(3): 217-223. doi: 10.1088/1674-0068/20/03/217-223|