Initial condition effects for diffusive barrier crossing
- 15 December 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (12) , 5261-5266
- https://doi.org/10.1063/1.436579
Abstract
A formulation and analysis of transient initial condition effects on reaction is given for the diffusive limit of barrier crossing between two stable chemical states. We focus on the case where the system is initially prepared in the high energy intermediate barrier region located between the stable states. It is shown how branching fluxes into and branching probabilities for stable states can be both calculated for and determined from analysis of stable state population dynamics.Keywords
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