Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+H

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.