Fourth-order diffusion Monte Carlo algorithms for solving quantum many-body problems
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Date
2001
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
American Physical Society
Abstract
By decomposing the important sampled imaginary time Schrodinger evolution operator to fourth order with positive coefficients, we derived a number of distinct fourth-order diffusion Monte Carlo algorithms. These sophisticated algorithms require higher derivatives of the drift velocity and local energy and are more complicated to program. However, they allowed very large time steps to be used, converged faster with lesser correlations, and virtually eliminated the step size error. We demonstrated the effectiveness of these quartic algorithms by solving for the ground-state energy and radial density distribution of bulk liquid helium.
Description
Journals published by the American Physical Society can be found at http://journals.aps.org/
Keywords
SYSTEMS, HELIUM, ENERGY, Physics
Citation
HA Forbert and Siu A. Chin. Phys.Rev.B 63 144518 2001."Copyright (2001) by the American Physical Society."