Investigating the stability and accuracy of a classical mapping variable Hamiltonian for nonadiabatic quantum dynamics

DOI10.1134/S1560354721020039MaRDI QIDQ2058463zbMATH OpenOpenAlexFDO

Authors Elliot C. Eklund, Nandini Ananth

Publication date 9 December 2021

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

Full work available at URL https://doi.org/10.1134/s1560354721020039

zbMATH Keywords

correlation functionsLagrangian descriptorsmapping variablesnonadiabaticpath integral

Mathematics Subject Classification ID

Bifurcation problems for finite-dimensional Hamiltonian and Lagrangian systems (37J20) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Symmetries and conservation laws, reverse symmetries, invariant manifolds and their bifurcations, reduction for problems in Hamiltonian and Lagrangian mechanics (70H33) Path integrals in quantum mechanics (81S40) Computational molecular dynamics in statistical mechanics (82M37)

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Cites work

• A short note on parameter approximation for von Mises-Fisher distributions: and a fast implementation of \(I_{s}(x)\)
• A Theoretical Framework for Lagrangian Descriptors
• Detection of Periodic Orbits in Hamiltonian Systems Using Lagrangian Descriptors
• Finding NHIM: identifying high dimensional phase space structures in reaction dynamics using Lagrangian descriptors
• scientific article; zbMATH DE number 5934473 (Why is no real title available?)
• Semiclassical Description of Nonadiabatic Quantum Dynamics
• Statistical mechanics: theory and molecular simulation.
• Using Lagrangian descriptors to uncover invariant structures in Chesnavich's isokinetic model with application to roaming

Cited in

(3)

• Analysis of adiabatic approximation using stable Hamiltonian method
• CT-MQC -- a coupled-trajectory mixed quantum/classical method including nonadiabatic quantum coherence effects
• \textit{koopmon} trajectories in nonadiabatic quantum-classical dynamics

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