Effects of backflow correlation in the three-dimensional electron gas: Quantum Monte Carlo study

Yongkyung Kwon, D. M. Ceperley, and Richard M. Martin
Phys. Rev. B 58, 6800 – Published 15 September 1998
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Abstract

The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations. In the high-density regime (rs<~5) the effects of backflow dominate over those due to three-body correlations, but the relative importance of the latter increases as the density decreases. Since the backflow correlations vary the nodes of the trial function, this leads to improved energies in the fixed-node diffusion Monte Carlo calculations. The effects are comparable to those found for the two-dimensional electron gas, leading to much improved variational energies and fixed-node diffusion energies similar to the released-node energies of Ceperley and Alder.

  • Received 16 January 1998

DOI:https://doi.org/10.1103/PhysRevB.58.6800

©1998 American Physical Society

Authors & Affiliations

Yongkyung Kwon

  • Department of Physics and Center for Advanced Materials and Devices, Kon-Kuk University, Seoul 143-701, Korea

D. M. Ceperley

  • Department of Physics and National Computational Science Alliance, University of Illinois, Urbana, Illinois 61801

Richard M. Martin

  • Department of Physics and Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801

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Vol. 58, Iss. 11 — 15 September 1998

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