Quantum scattering and quasi-classical trajectory calculations for the H(2)+OH reversible arrow H(2)O+H reaction on a new potential surface

Six-dimensional (6D) quantum scattering calculations of reaction probabilities are reported for the OH + H(2)H(2)O + 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 + H(2) reaction agree well with experiment. In addition, RBA calculations of differential cross sections for the OH + D(2) --> HOD + D reaction and the photodetachment spectrum for H(3)O(-) also agree well with experiment. These results suggest that the new potential surface is reliable for this reason.