碰撞能和反应物激发态对H(D) + LiH(D)反应动力学的影响
Influence of Collision Energy and Reagent Excitation on the Dynamics of the Reactions H(D) + LiH(D)
摘要: 在一个新的基态势能面上对标题碰撞反应进行了准经典动力学计算。在0到1 eV范围内研究了碰撞能对反应几率和积分反应截面的影响。计算结果与以前的波包计算结果吻合非常好。在整体能量范围内，碰撞能对反应几率的影响不大，而对积分截面影响较大。另外，反应物初始转动和振动激发对产物的极化也进行了研究。结果表明反应物转动激发态对角动量的影响较大，角动量的极化对反应物振动激发不敏感。
Abstract: Quasi-classical trajectory calculations have been carried out for the title reactions on a new po-tential energy surface of the ground state. The effects of the collision energy on reaction probabili-ties and cross sections were investigated from zero to 1.0 eV. The results were found to be well consistent with previous real wave packet results. In the whole energy range, the collision energy has a relatively big effect on the cross section and a negligible effect on reaction probability. The effects of the reagent initial rotational excitation and vibrational excitation on the product polari-zation were studied for the v = 1, 2, 3 and j = 3, 5, 7 states. The results indicated that the reagent excitation has a small impact on the j′ .
文章引用：王玉良, 顾殿雨, 宿德志, 王坤. 碰撞能和反应物激发态对H(D) + LiH(D)反应动力学的影响[J]. 现代物理, 2019, 9(2): 96-102. https://doi.org/10.12677/MP.2019.92011

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