In:
Canadian Journal of Physics, Canadian Science Publishing, Vol. 97, No. 8 ( 2019-08), p. 864-868
Abstract:
The time-dependent quantum scattering calculation with Chebyshev wave packet propagation scheme has been carried out based on an accurate electronic potential energy surface of H 2 O + (X 4 A″). Due to the influence of the deep potential well, the reaction probability of [Formula: see text] shows resonance structures regardless of the Coriolis-coupling (CC) effect or centrifugal sudden (CS) approximation. In the range of collision energy 0.0–1.0 eV, the integral cross section obtained by the CS approximation calculation is smaller than that by the CC calculation, which indicates that the CC effect plays a significant role in the title reaction.
Type of Medium:
Online Resource
ISSN:
0008-4204
,
1208-6045
DOI:
10.1139/cjp-2018-0596
Language:
English
Publisher:
Canadian Science Publishing
Publication Date:
2019
detail.hit.zdb_id:
2021497-2