一个参数对具有入口通道和两个势阱的势能面非对称性的影响
The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an Entrance Channel and Two Potential Wells
摘要：
本文研究了非对称谷脊拐点（VRI）势，其能量面（PES）具有两个连续的指数1鞍（上、下），其中一个鞍具有比另一个高的能量，两个势阱被下指数1鞍分隔开.我们展示了我们的潜力的深度和平坦度的变化，因为我们修改的参数，控制的不对称性，以及分支比（进入每个井的轨迹的比率）是如何变化的，因为我们修改相同的参数和它的相关性与面积的叶，因为他们制定了稳定和非稳定流形，已提取的梯度的LD标量场。
英文摘要：
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.
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