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Dynamic reaction paths and rates through importance-sampled stochastic dynamics
1999
Journal of Chemical Physics
We extend a previously developed method, based on Wagner's stochastic formulation of importance sampling, to the calculation of reaction rates and to a simple quantitative description of finite-temperature, average dynamic paths. Only the initial and final states are required as input-no information on transition state͑s͒ is necessary. We demonstrate the method for a single particle moving on the two-dimensional Müller-Brown potential surface. Beyond computing the forward and reverse rates for
doi:10.1063/1.480278
fatcat:2rbifk3p2vhjbngcirs5c4pvpm