Year: 2011
Author: Nazim Dugan, Inanc Kanik, Sakir Erkoc
Journal of Atomic and Molecular Sciences, Vol. 2 (2011), Iss. 1 : pp. 1–9
Abstract
Wavefunction correction scheme, which was developed as a variance reduction tool for the pure and fixed-node diffusion Monte Carlo (DMC) computations by Anderson and Freihaut, is applied to the DMC computations of fermions without using the fixed-node constraint. This technique is found to be suitable for the non fixed-node calculations because of the significant decreases observed in the computation efforts in the benchmark computations for calculating results with certain statistical error values.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.072810.082010a
Journal of Atomic and Molecular Sciences, Vol. 2 (2011), Iss. 1 : pp. 1–9
Published online: 2011-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 9
Keywords: quantum Monte Carlo diffusion Monte Carlo fermions.