The Wigner Branching Random Walk: Efficient Implementation and Performance Evaluation

Authors

  • Yunfeng Xiong & Sihong Shao

DOI:

https://doi.org/10.4208/cicp.OA-2018-0141

Keywords:

Wigner equation, branching random walk, signed particle, bootstrapping, weighted particle, Monte Carlo method, quantum dynamics, importance sampling, resampling, particle reduction.

Abstract

To implement the Wigner branching random walk, the particle carrying a signed weight, either −1 or +1, is more friendly to data storage and arithmetic manipulations than that taking a real-valued weight continuously from −1 to +1. The former is called a signed particle and the latter a weighted particle. In this paper, we propose two efficient strategies to realize the signed-particle implementation. One is to interpret the multiplicative functional as the probability to generate pairs of particles instead of the incremental weight, and the other is to utilize a bootstrap filter to adjust the skewness of particle weights. Performance evaluations on the Gaussian barrier scattering (2D) and a Helium-like system (4D) demonstrate the feasibility of both strategies and the variance reduction property of the second approach. We provide an improvement of the first signed-particle implementation that partially alleviates the restriction on the time step and perform a thorough theoretical and numerical comparison among all the existing signed-particle implementations. Details on implementing the importance sampling according to the quasi-probability density and an efficient resampling or particle reduction are also provided.

Published

2018-11-09

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Section

Articles

How to Cite

The Wigner Branching Random Walk: Efficient Implementation and Performance Evaluation. (2018). Communications in Computational Physics, 25(3), 871-910. https://doi.org/10.4208/cicp.OA-2018-0141