具有后过渡态分岔的对称势能面中选择性后轨道的时间演化
The time evolution of the trajectories after the selectivity in a symmetric potential energy surface with a post-transition-state bifurcation
摘要：
选择性是化学反应动力学中的一个重要现象。这可以通过访问一个或其他井的轨迹的分支比与具有两个连续指数-1鞍和两个井（顶部井和底部井）的势的系统中的轨迹的总数来量化。在我们的例子中，分支比是1：1，因为我们的势能面是对称的。近年来，人们对这类系统的输运机制和轨道行为进行了研究。本文利用周期轨道分割面研究了选择性随能量变化后的时间演化。我们调查发生了什么事后，第一次访问的轨迹的顶部或底部的区域以及不同的能量值。我们回答了一个自然的问题，这些轨迹的命运是什么？
英文摘要：
Selectivity is an important phenomenon in chemical reaction dynamics. This can be quantified by the branching ratio of the trajectories that visit one or the other wells to the total number of trajectories in a system with a potential with two sequential index-1 saddles and two wells (top well and bottom well). In our case, the branching ratio is 1:1 because of the symmetry of our potential energy surface. The mechanisms of transport and the behavior of the trajectories in this kind of systems have been studied recently. In this paper we study the time evolution after the selectivity as energy varies using periodic orbit dividing surfaces. We investigate what happens after the first visit of a trajectory to the region of the top or the bottom well for different values of energy. We answer the natural question, what is the destiny of these trajectories?
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