2004arXiv (Cornell University)Open access

A Multigrid Algorithm for Sampling Imaginary-Time Paths in Quantum Monte Carlo Simulations

Chi H. Mak, Sergei Viktorovich Zakharov

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Abstract

We describe a novel simulation method that eliminates the slowing-down problem in the Monte Carlo simulations of imaginary-time path integrals near the continuum limit. This method combines a stochastic blocking procedure with the multigrid method to rapidly accelerate the sampling of paths in a quantum Monte Carlo simulation, making its dynamics more ergodic. The effectiveness and efficiency of this method are demonstrated for several one-dimensional quantum systems and compared to other standard and accelerated methods.

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We describe a novel simulation method that eliminates the slowing-down problem in the Monte Carlo simulations of imaginary-time path integrals near the continuum limit. This method combines a stochastic blocking procedure with the multigrid method to rapidly accelerate the sampling of paths in a quantum Monte Carlo simulation, making its dynamics more ergodic. The effectiveness and efficiency of this method are demonstrated for several one-dimensional quantum systems and compared to other standard and accelerated methods.

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Available abstract

We describe a novel simulation method that eliminates the slowing-down problem in the Monte Carlo simulations of imaginary-time path integrals near the continuum limit. This method combines a stochastic blocking procedure with the multigrid method to rapidly accelerate the sampling of paths in a quantum Monte Carlo simulation, making its dynamics more ergodic. The effectiveness and efficiency of this method are demonstrated for several one-dimensional quantum systems and compared to other standard and accelerated methods.

Key concepts: Multigrid method, Monte Carlo method, Quantum Monte Carlo, Monte Carlo integration, Hybrid Monte Carlo, Monte Carlo method in statistical physics, Monte Carlo molecular modeling, Imaginary time

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