The thermal rate coefficient for the prototype reaction H+H2→H2+H with zero total angular momentum is calculated by summing, averaging, and numerically integrating state‐to‐state reaction probabilities calculated by time‐independent quantum‐mechanical scattering theory. The results are very carefully converged with respect to all numerical parameters in order to provide high‐precision benchmark results for confirming the accuracy of new methods and testing their efficiency.
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© 1991 American Institute of Physics.
1991
American Institute of Physics
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