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

Authors :
Chi H. Mak
Sergey Zakharov
Source :
The Journal of Physical Chemistry B. 108:6760-6766
Publication Year :
2004
Publisher :
American Chemical Society (ACS), 2004.

Abstract

We describe a novel simulation method that eliminates the slowing-down problem in the Monte Carlo (MC) 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 MC 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.

Details

ISSN :
15205207 and 15206106
Volume :
108
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry B
Accession number :
edsair.doi...........32d41e4cb9457c19a5aad54b02589606
Full Text :
https://doi.org/10.1021/jp0371027