Abstract
The Born Oppenheimer (BO) and Renner Teller (RT) time dependent quantum dynamics are investigated for the reaction NDa1Δ+D′(2S), considering the NH2 electronic states X∼2B1 and A∼2A1. The introduction of RT effects opens the possibility of studying not only the adiabatic reactions (depletion- A N(2D) + D2(a1Δ) and Exchange ND’+(a1Δ) + D) but also non-adiabatic ones (quenching + exchange ND′(X3Σ-)+D, depletion- X N(4S) + D2(a1Δ)). The initial state resolved reaction probabilities, cross sections, and rate constants are obtained considering the Coriolis Coupling (CC) interactions for all the reactions above. To point out the role of RT and CC effect, we compared our results with experimental and semi- classical data.
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