Sink-algorithms for the simulation of electron transfer kinetics

Authors

  • S.V. Feskov

Keywords:

electron transfer
donor-acceptor complex
Zusman model
Jortner-Bixon model
dynamic solvent effect

Abstract

Procedures for computing Green’s function for the equations of the two-level Zusman model and the stochastic Jortner-Bixon model are proposed. The algorithms for the numerical simulation of electron transfer kinetics in donor-acceptor complexes in polar solvents are developed. The efficiency of these algorithms is analyzed and compared with the efficiency of the recrossing algorithm developed earlier. Test simulations of the reaction kinetics are performed; their results show a good correspondence with the known analytic estimates in some particular cases. This work was supported by the Russian Ministry of Education and Science (project 14.740.11.0374) and the Russian Foundation for Basic Research (project 11-03-00736а).

New computational technologies

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Published

2012-10-09

Issue

Vol. 13 (2012): Issue 3.

Section

Section 1. Numerical methods and applications

Author Biography

S.V. Feskov

Volgograd State University,
Physical-Technical Institute
• Associate Professor

References

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