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- Title
Quantum wave-packet studies on ion–molecule reaction --> O+(S4) +D2(X1∑g+) --> with and without Coriolis-coupling effect.
- Authors
Wang, Xian-Long; Gao, Feng; Xu, Ting; Meng, Qing-Tian; Gao, Shou-Bao
- 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 H2O+(X4A″). Due to the influence of the deep potential well, the reaction probability of --> O + (S 4 ) + D 2 (X 1 ∑ g + ) → O D + (X 3 ∑ − ) + D(S 2) --> 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.
- Subjects
WAVE packets; ION-molecule collisions; THEORY of wave motion
- Publication
Canadian Journal of Physics, 2019, Vol 97, Issue 8, p864
- ISSN
0008-4204
- Publication type
Article
- DOI
10.1139/cjp-2018-0596