Quantum wave-packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant
Quantum wave-packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant
No Thumbnail Available
Date
2004-10-22
Authors
Padmanaban, R.
Mahapatra, S.
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
The channel specific and initial state selected reaction cross section, and temperature dependent rate constant of a H+HLi scattering system was calculated. The partial-wave contributions up to the total angular momentum J=74 were calculated within the coupled states (CS) approximation. Companion computations were also performed using the standard as well as the uniform J-shifting (JS) approximation. The overall variation of reaction cross sections was found to correspond well to the behavior of a barrierless reaction.
Description
Keywords
Citation
Journal of Chemical Physics. v.121(16)