Exact quantum mechanical calculation of the reaction probability for the collinear H + H2 reaction on a Porter-Karplus potential energy surface are carried out by the finite-difference boundary value method at 6 energes in the threshold region and compared to close coupling, distorted wave, classical S matrix, transition state theory, and vibrational adiabatic calculations.
Bibliographical noteFunding Information:
* Supported in part by the National Science Foundation under NSF grant no. GP-28684. ** National Defense Educational Act Predoctoral Fellow. t The classical barrier height on this surface is 0.3961 eV.