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

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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 (Formula presented) 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.

Original languageEnglish (US)
Pages (from-to)6800-6806
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume58
Issue number11
DOIs
StatePublished - 1998

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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