Importance of coriolis coupling in isotopic branching in (He, HD+) collisions

Abstract

A three-dimensional time-dependent quantum mechanical wave packet approach is used to calculate the reaction probability (P R) and integral reaction cross section values for both channels of the reaction He + HD +(v = 1;j = 0) -- HeH (D) + + D (H) over a range of translational energy (E trans) on the McLaughlin-ThompsonJoseph- Sathyamurthy potential energy surface including the Coriolis coupling (CC) term in the Hamiltonian. The reaction probability plots as a function of translational energy for different J values exhibit several oscillations, which are characteristic of the system. The σ R values obtained by including CC and not including it are nearly the same over the range of E trans investigated for the HeD+ channel. For the HeH + channel, on the other hand, σ R values obtained from CC calculations are significantly smaller than those obtained from coupled state calculations. These results are compared with the available experimental results. The computed branching ratios (T = σ R(HeH +) / σ R(HeD +)) are also compared with the available experimental results.