Abstract
Six-dimensional (6D) quantum scattering calculations of reaction probabilities are reported for theOH+H2⇌H2O+H reaction. An arrangement channel hyperspherical coordinate method is used. A new potential energy surface due to Ochoa and Clary is employed. The results agree well with those calculated using the rotating bond approximation (RBA) and the quasi-classical trajectory (QCT) method. 6D quantum, RBA and QCT calculations of rate constants for the OH+H2 reaction agree well with experiment. In addition, RBA calculations of differential cross sections for the OH+D2→HOD+D reaction and the photodetachment spectrum for H3O− also agree well with experiment. These results suggest that the new potential surface is reliable for this reason.
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