科里奥利耦合在化学反应动力学中的作用。
Effect of Coriolis coupling in chemical reaction dynamics.
作者信息
Chu Tian-Shu, Han Ke-Li
机构信息
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People's Republic of China.
出版信息
Phys Chem Chem Phys. 2008 May 14;10(18):2431-41. doi: 10.1039/b715180b. Epub 2008 Mar 5.
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.
评估科里奥利耦合效应在分子反应动力学中的作用至关重要。在此，我们在绝热和非绝热的背景下，考虑量子反应散射计算中的科里奥利耦合效应，特别着重于研究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。在详细回顾关于此问题的其他相关研究工作之后，我们给出了采用含时量子波包方法对H + D2和F(2P3/2,2P1/2) + H2以及He + H2 +、D(-) + H2、H(-) + D2和D+ + H2的离子 - 分子碰撞所做的计算结果。
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