Abstract

In a previous item the authors reported potential energy surfaces (PESs) of the Ga–CH4 reaction, where no mention was made of transition probabilities on the avoided crossings between curves. Here they tackle this problem by applying the Landau-Zener (LZ) premise to obtain transition probabilities at these crossings and they present new developments based on the LZ theory for avoided crossings by considering the insertion angle θ as the reaction parameter. The nonadiabatic transition probability depends on the angular velocity, which leads to the inertia moment. These developments are applied to the avoided crossings of three A′ PESs of the Ga(P2,S2,andP2)+CH4 interactions.

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