Visualizing the phase space of the HeI2 van der Waals complex using Lagrangian descriptors

In this paper we demonstrate the capability of the method of Lagrangian descriptors to unveil the phase space structures that characterize transport in high-dimensional symplectic maps. In order to illustrate its use, we apply it to a four-dimensional symplectic map model that is used in chemistry to explore the nonlinear dynamics of van der Waals complexes. The advantage of this technique is that it allows us to easily and effectively extract the invariant manifolds that determine the dynamics of the system under study by means of examining the intersections of the underlying phase space structures with low-dimensional slices. With this approach, one can perform a full computational phase space tomography from which three-dimensional representations of the higher-dimensional phase space can be systematically reconstructed. This analysis may be of much help for the visualization and understanding of the nonlinear dynamical mechanisms that take place in high-dimensional systems. In this context, we demonstrate how this tool can be used to detect whether the stable and unstable manifolds of the system intersect forming turnstile lobes that enclose a certain phase space volume, and the nature of their intersection. (c) 2021 Elsevier B.V. All rights reserved.