Local field factor and effective potentials in liquid metals

G. Senatore, S. Moroni, D. M. Ceperley

Research output: Contribution to journalArticlepeer-review

Abstract

The authors recently evaluated the local field factor, G(q) of the electron gas by accurate fixed-node diffusion Monte Carlo (DMC) simulations. Here, the G(q) obtained from a simple fit to the DMC results and from several approximations available in the literature is used to derive the effective pair potential φ(r) in simple metals within second-order perturbation theory. Using a local electron-ion pseudopotential, it is found that φ is determined mostly by the behavior of G(q) at q ≤ ca. 2qF, where the DMC data are well reproduced by the local field within local density approximation, GLDA(q) = A(q /qF)2 with A related to the compressibility of the uniform electron gas.

Original languageEnglish (US)
Pages (from-to)851-854
Number of pages4
JournalJournal of Non-Crystalline Solids
Volume205-207
Issue number2
DOIs
StatePublished - Oct 1996

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

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