Dynamical Studies of the Si+ ion Collision With HD Using Time-Dependent Wave Packet Method

Abstract

The collision reaction process of Si⁺ ions with HD molecules was studied using the time-dependent wave packet method within the energy range of 1.0–3.0 eV. Theoretical research results show that, except in the lower energy range, throughout the whole collision energy range studied, the competitive ability of the D + SiH⁺ product channel is stronger than that of the H + SiD⁺ channel. The comparison of integral cross sections with experimental results indicates that the results for the D + SiH⁺ and H + SiD⁺ channels are in general good agreement with the experimental values. The differential cross sections demonstrated that the angular distributions of products in both the H + SiD⁺ and D + SiH⁺ channels are almost forward–backward symmetric in the low collision energy range and primarily forward scattering at high collision energies. This indicates that as the collision energy increases, the reaction mechanism shifts from an insertion mechanism to a stripping mechanism.