Integral and state-to-state cross sections for the reaction D + H 2(ν f) → HD(ν f) + H: A quantum mechanical study within the infinite order sudden approximation

Abstract

In this paper are presented quantum mechanical t-initial and t-average cross sections and rate constants for the reactions D + H 2(ν 1 = 0, 1) → HD(ν f = 0, 1) + H. The calculations were done employing the infinite order sudden approximation. It was found that the t-average total cross sections overlap very nicely with the available classical cross sections. As for rate constants a reasonably good fit was found with available experimental results.