Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+H
- 1 August 1987
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 87 (3) , 1892-1894
- https://doi.org/10.1063/1.453205
Abstract
We report converged quantum mechanical reaction probabilities for O+H2(v=0,1)→OH+H for zero total angular momentum as obtained by an ℒ2 expansion of the reactive amplitude density. These provide a benchmark for testing approximate dynamical theories, and this is illustrated by comparisons to centrifugal sudden distorted wave and least-action calculations and vibrationally adiabatic threshold energies.Keywords
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