A Surface Hopping Gaussian Beam Method for High-Dimensional Transport Systems

DOI10.1137/17M1121299zbMATH Open1398.81096arXiv1703.06116MaRDI QIDQ4685336FDOQ4685336

Authors: Zhenning Cai, Jianfeng Lu 

Publication date: 8 October 2018

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Abstract: We propose a surface hopping Gaussian beam method to numerically solve a class of high frequency linear transport systems in high spatial dimensions, based on asymptotic analysis. The stochastic surface hopping is combined with Gaussian beam method to deal with the multiple characteristic directions of the transport system in high dimensions. The Monte Carlo nature of the proposed algorithm makes it easy for parallel implementations. We validate the performance of the algorithms for applications on the quantum-classical Liouville equations.

Full work available at URL: https://arxiv.org/abs/1703.06116

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zbMATH Keywords

transport systemGaussian beamsurface hopping

Mathematics Subject Classification ID

Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20) Initial value problems for first-order hyperbolic equations (35L03)

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Cited In (3)

• Construction and validation of a rigorous surface hopping algorithm for conical crossing
• A diabatic surface hopping algorithm based on time dependent perturbation theory and semiclassical analysis
• A hybrid Schrödinger/Gaussian beam solver for quantum barriers and surface hopping

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