Accurate quantum mechanical reaction probabilities for the reaction O+H2rarr;OH+H

摘要

We report converged quantum mechanical reaction probabilities for O+H2(v=0,1)rarr;OH+H for zero total angular momentum as obtained by anL2expansion 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 leasthyphen;action calculations and vibrationally adiabatic threshold energies.