Optical model for molecular rate processes: The inversion of total reaction cross sections

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Abstract
An optical model is derived under the assumption that only a relatively small region of the effective complex potential dictates whether or not a specified reaction will take place. This lowest order localized approximation to the optical potential is uniquely parametrized to fit the total reaction cross section data as a function of kinetic energy for the reactions involving K+CH3I, F+H2, and H+H2 (three‐dimensional trajectory simulations on assumed potential surfaces). The optical potential thus obtained is then used to predict the reaction probability (opacity) as a function of impact parameter for each of these cases at several kinetic energies. The agreement with experiment is excellent.

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