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A Mixed Quantum/Classical Approach to Associative Detachment in Low-Energy H– + H Collisions

Authors :
Ronald McCarroll
Tasko P. Grozdanov
University of Belgrade [Belgrade]
Laboratoire de Chimie Physique - Matière et Rayonnement (LCPMR)
Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
Source :
Journal of Physical Chemistry A, Journal of Physical Chemistry A, American Chemical Society, 2019, 123 (14), pp.3090-3097. ⟨10.1021/acs.jpca.9b00412⟩
Publication Year :
2019
Publisher :
American Chemical Society (ACS), 2019.

Abstract

International audience; A theoretical approach, in which the rotational degrees of freedom are treated quantum mechanically while translational degrees of freedom classically or semiclassically, is applied to calculate the total and final-state specific cross sections for the reaction H − + H → H 2 (v, j) + e − in the range of low collision energies (E = 1− 754 meV). The calculated cross sections agree well with the existing experimental and theoretical results. Results are also presented for the inverse dissociative attachment process: H 2 (v, j) + e − → H − + H.

Details

ISSN :
15205215 and 10895639
Volume :
123
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry A
Accession number :
edsair.doi.dedup.....e12a3721ad61f8ab93d753f4090b02cb