Discretising the Herman-Kluk propagator

DOI10.1007/S00211-017-0871-0zbMath1372.81065arXiv1605.00588OpenAlexW2963528648MaRDI QIDQ2402984

Caroline Lasser, David Sattlegger

Publication date: 15 September 2017

Published in: Numerische Mathematik (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1605.00588

zbMATH Keywords

symplectic methodssemi-classical approximationHerman-Kluk propagatormesh-less discretisation

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20) Applications to the sciences (65Z05) Molecular physics (81V55) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Numerical integration (65D30)

Related Items (7)

Computing quantum dynamics in the semiclassical regime ⋮ Propagation of coherent states through conical intersections ⋮ Propagation of wave packets for systems presenting codimension one crossings ⋮ \textit{koopmon} trajectories in nonadiabatic quantum-classical dynamics ⋮ Frozen Gaussian sampling for scalar wave equations ⋮ Adiabatic and non-adiabatic evolution of wave packets and applications to initial value representations ⋮ An error bound for the time-sliced thawed Gaussian propagation method

Cites Work

• Hagedorn wavepackets in time-frequency and phase space
• A mathematical justification for the Herman-Kluk propagator
• Raising and lowering operators for semiclassical wave packets
• Convergence of a semiclassical wavepacket based time-splitting for the Schrödinger equation
• Computing Expectation Values for Molecular Quantum Dynamics
• Computing Semiclassical Quantum Dynamics with Hagedorn Wavepackets
• Composition constants for raising the orders of unconventional schemes for ordinary differential equations
• Error estimates for Gaussian beam superpositions
• Optimal Error Estimates for First-Order Gaussian Beam Approximations to the Schrödinger Equation
• Geometric Numerical Integration
• Functions of bounded variation, signed measures, and a general Koksma–Hlawka inequality
• An introduction to semiclassical and microlocal analysis

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