Path Integral Monte Carlo Calculation of Reaction-Diffusion Equation

Koji Ando, H Sumi

Research output: Contribution to journalArticle

10 Citations (Scopus)


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 languageEnglish
Pages (from-to)8315-8320
Number of pages6
JournalJournal of Chemical Physics
Issue number18
Publication statusPublished - 1 Jan 2003


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