Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics

DOI10.1016/j.jcp.2008.11.016zbMath1161.81394DBLPjournals/jcphy/KubeLW09OpenAlexW2158074659WikidataQ57981942 ScholiaQ57981942MaRDI QIDQ1009948

Marcus Weber, Caroline Lasser, Susanna Kube

Publication date: 3 April 2009

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2008.11.016

zbMATH Keywords

quantum dynamicssurface hoppingmetropolis Monte Carlo

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Phase-space methods including Wigner distributions, etc. applied to problems in quantum mechanics (81S30) Numerical integration (65D30)

Related Items (5)

A kinetic model for the transport of electrons in a graphene layer ⋮ The spectrogram expansion of Wigner functions ⋮ Adaptive artificial boundary condition for the two-level Schrödinger equation with conical crossings ⋮ Single switch surface hopping for molecular quantum dynamics ⋮ Mathematical and computational methods for semiclassical Schrödinger equations

Uses Software

• ConfJump

Cites Work

• Unnamed Item
• The AC Stark effect, time-dependent Born-Oppenheimer approximation, and Franck-Condon factors
• Autour de l'approximation semi-classique. (Around semiclassical approximation)
• Foundations of time-frequency analysis
• Error bounds for exponential operator splittings
• Inference from iterative simulation using multiple sequences
• Markov chains for exploring posterior distributions. (With discussion)
• Construction and validation of a rigorous surface hopping algorithm for conical crossing
• Propagation through Generic Level Crossings: A Surface Hopping Semigroup
• Harmonic Analysis in Phase Space. (AM-122)
• Equation of State Calculations by Fast Computing Machines
• An introduction to semiclassical and microlocal analysis

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