Effect of Coriolis coupling in chemical reaction dynamics.
Effect of Coriolis coupling in chemical reaction dynamics.
复制标题
DOI：
10.1039/b715180b
复制
发表时间：
2008-04
期刊：
影响因子：
--
通讯作者：
T. Chu;Keli Han
中科院分区：
文献类型：
--
作者：
T. Chu;Keli Han
评价科里奥利耦合效应在分子反应动力学中的作用是十分必要的。本文考虑了在绝热和非绝热条件下量子反应散射计算中的科里奥利耦合效应，重点研究了科里奥利耦合效应在三原子分子体系反应动力学中的作用。在详细回顾了其他相关研究成果的基础上，提出了我们自己用时间相关量子波包方法计算H + D2和F(2P3/2,2P1/2) + H2以及He + H2 +、D(-) + H2、H(-) + D2和D+ + H2离子-分子碰撞的结果。
It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis coupling effect in reaction dynamics of triatomic molecular systems. We present the results of our own calculations by the time-dependent quantum wave packet approach for H + D2 and F(2P3/2,2P1/2) + H2 as well as for the ion-molecule collisions of He + H2 +, D(-) + H2, H(-) + D2, and D+ + H2, after reviewing in detail other related research efforts on this issue.