Semiclassical investigation of vibrational state and molecular orientation effects in electron transfer reactions for the H+2/H2 collision

Abstract

An accurate interaction potential is used in the semiclassical energy conserving trajectory formulation to investigate electron transfer reactions in the H+2/H2 collision for initial ion vibrational states 0≤ν′0 ≤5. The state-to-state cross sections are calculated at several initial molecular orientations and ion kinetic energies. The relative total charge transfer cross sections as a function of ν0 are in good agreement with experimental data. At the state-to-state level, the cross section for the resonant channel at low energies (16 and 32 eV) contributes more than 75% of the total charge transfer cross section at ν′0 =0, but decreases with ν0 to less than 50% at ν′0 =5. At high energies (400 and 800 eV) the cross section of many off-resonant channels are as large as that of the resonant channel. These detailed state-to-state results depend on the initial molecular orientations. We also show the charge transfer probabilities as a function of impact parameter. The oscillatory variation suggests the number of electron jumps between two colliding ion cores.