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The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an Entrance Channel and Two Potential Wells

The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an... 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 havinghigher 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 been formedby the stableand unstable manifolds that have been extracted from the gradient of the LD scalar fields. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Regular and Chaotic Dynamics Springer Journals

The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an Entrance Channel and Two Potential Wells

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References (15)

Publisher
Springer Journals
Copyright
Copyright © Pleiades Publishing, Ltd. 2022
ISSN
1560-3547
eISSN
1468-4845
DOI
10.1134/s1560354722020071
Publisher site
See Article on Publisher Site

Abstract

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 havinghigher 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 been formedby the stableand unstable manifolds that have been extracted from the gradient of the LD scalar fields.

Journal

Regular and Chaotic DynamicsSpringer Journals

Published: Mar 1, 2022

Keywords: phase space structure; Lagrangian descriptors; chemical reaction dynamics; valley ridge inflection point potential

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