Abstract
Path-integral formulation and Monte Carlo calculations of the reaction-diffusion equation of condensed phase chemical reactions are presented. Numerical calculations are demonstrated for the Sumi-Marcus model of electron transfer reactions, which include the slow and intermediate diffusion regimes, ultrafast photoinduced electron transfers, and nonequilibrium initial distributions. (C) 2003 American Institute of Physics.
| Original language | English |
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| Pages (from-to) | 8315-8320 |
| Number of pages | 6 |
| Journal | Journal of Chemical Physics |
| Volume | 118 |
| Issue number | 18 |
| DOIs | |
| Publication status | Published - 1 Jan 2003 |