Export citation

Export citation

Choose format for download:

Download Citation
  • Letter

QMC-consistent static spin and density local field factors for the uniform electron gas

Aaron D. Kaplan*

Carl A. Kukkonen†

  • Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA

  • 33841 Mercator Isle, Dana Point, California 92629, USA

  • *Present address: Lawrence Berkeley National Laboratory, Berkeley, CA 94720; ADKaplan@lbl.gov
  • †kukkonen@cox.net

Phys. Rev. B 107, L201120 – Published 30 May, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L201120

Abstract

Analytic mathematical models for the static spin (G−) and density (G+) local field factors for the uniform electron gas (UEG) as functions of wave vector and density are presented. These models closely fit recent quantum Monte Carlo (QMC) data and satisfy exact asymptotic limits. A simple functional form for G− is developed; the same functional form parametrized for G+ yields an improvement over previous work. The QMC-computed G± are consistent with a rapid crossover between theoretically derived small-q and large-q expansions of G±. These expansions are completely determined by rs, the UEG correlation energy per electron, and the UEG on-top pair distribution function. We demonstrate their utility by computing uniform electron gas correlation energies over a range of densities. These models, which hold over an extremely wide range of densities, are recommended for use in practical time-dependent density functional theory calculations of simple metallic systems. A revised model of the spin susceptibility enhancement is developed that fits QMC data, and does not show a ferromagnetic instability at low density.

Physics Subject Headings (PhySH)

Authorization Required

We need you to provide your credentials before accessing this content.

Supplemental Material (Subscription Required)

References (Subscription Required)

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation