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

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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.

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