Abstract
Time dependent wave packet calculations have been performed for the O++H2 nonreactive scattering on the recent potential energy surface of Martinez et al. [J. Chem. Phys., 120, 4705, 2004]. Exact total reflection probabilities at the total angular momentum J=0 and approximate ones for J>0 have been calculated by using Centrifugal Sudden approximation. Integral cross sections over collision energy range of 0.08–0.7eV were obtained. Time independent quantum calculations have also been performed for a comparison. Initial state-selected rate constants have been obtained by means of Capture model based on a simple and Uniform J-shifting techniques and they display an Arrhenius behavior.
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