Classical and quantum dynamical manifestations of index-\(2\) saddles: concerted versus sequential reaction mechanisms

DOI10.1134/S1560354721020052zbMath1484.37062arXiv2009.07716OpenAlexW3085134464MaRDI QIDQ2058468

Srihari Keshavamurthy, Shibabrat Naik, Priyanka Pandey

Publication date: 9 December 2021

Published in: Regular and Chaotic Dynamics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2009.07716

zbMATH Keywords

invariant manifoldsclassical-quantum correspondencereaction mechanismssequential reactionsdynamic Murrell-Laidlerindex-\(2\) saddles

Mathematics Subject Classification ID

Simulation of dynamical systems (37M05) Molecular physics (81V55) Stability problems for finite-dimensional Hamiltonian and Lagrangian systems (37J25) Computational methods for invariant manifolds of dynamical systems (37M21)

Uses Software

• wavepacket

Cites Work

• Unnamed Item
• Lagrangian descriptors: a method for revealing phase space structures of general time dependent dynamical systems
• Program for quantum wave-packet dynamics with time-dependent potentials
• Transition states near rank-two saddles: correlated electron dynamics of helium
• On the geometry of transport in phase space. I. Transport in k-degree-of- freedom Hamiltonian systems, \(2\leq k<\infty\)
• Computational method for phase space transport with applications to Lobe dynamics and rate of escape
• Exploring isomerization dynamics on a potential energy surface with an index-2 saddle using Lagrangian descriptors
• The role of normally hyperbolic invariant manifolds (NHIMS) in the context of the phase space setting for chemical reaction dynamics
• The geometry of reaction dynamics
• Wigner's dynamical transition state theory in phase space: classical and quantum
• Composition Methods for Differential Equations with Processing

This page was built for publication: Classical and quantum dynamical manifestations of index-\(2\) saddles: concerted versus sequential reaction mechanisms