论文标题
控制具有入口通道的势能表面的不对称性和两个潜在井的参数的影响
The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an Entrance Channel and Two Potential Wells
论文作者
论文摘要
在本文中，我们研究了一个不对称的山谷河流拐点（VRI）电位，其能量表面（PES）具有两个顺序指数-1鞍（上部和下部），其中一个鞍座具有比另一个鞍座更高的能量和两个电势孔，由下部Index-1 Saddle隔开。我们展示了当我们修改控制不对称性的参数以及分支比（每个良好进入良好的轨迹的比率）时，我们的潜力的深度和平坦度如何发生变化，因为我们修改了相同的参数及其与稳定和不稳定的歧管的相同区域的相关性，并从稳定的歧管中提取了量级的范围。
In this paper we study an asymmetric valley-ridge inflection point (VRI) potential, whose energy surface (PES) features two sequential index-1 saddles (the upper and the lower), with one saddle having higher energy than the other and two potential wells separated by the lower index-1 saddle. We show how the depth and the flatness of our potential changes as we modify the parameter that controls the asymmetry as well as how the branching ratio (ratio of the trajectories that enter each well) is changing as we modify the same parameter and its correlation with the area of the lobes as they have formulated by the stable and unstable manifolds that have been extracted from the gradient of the LD scalar fields.
