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.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Materials Chemistry