Electronic Quenching in N(2D) + N2 Collisions: A State-Specific Analysis via Surface Hopping Dynamics

The electronic quenching reaction N(2 D) + N2 → N(4 S) + N2 is studied using the trajectory surface hopping method and employing two doublet and one quartet accurate potential energy surfaces. State-specific properties are analyzed, such as the dependence of the cross section on the initial quantum...

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Bibliographic Details
Published in:Journal of chemical theory and computation Vol. 10; no. 5; pp. 1872 - 1877
Main Authors: Galvão, B. R. L, Braga, J. P, Belchior, J. C, Varandas, A. J. C
Format: Journal Article
Language:English
Published: American Chemical Society 13-05-2014
Online Access:Get full text
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