Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas

Citation
P. Gori-giorgi et al., Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas, PHYS REV B, 61(11), 2000, pp. 7353-7363
Citations number
83
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
11
Year of publication
2000
Pages
7353 - 7363
Database
ISI
SICI code
1098-0121(20000315)61:11<7353:ASSFAP>2.0.ZU;2-A
Abstract
We propose 3 simple and accurate model for the electron static structure fa ctors (and corresponding pair-correlation functions) of the three-dimension al unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a combination of analytic constraints and fittin g procedures to quantum Monte Carlo data, and, in comparison to previous at tempts, (i) fulfills more known integral and differential properties of the exact pair-correlation function, (ii) is analytic both in real and in reci procal space, and (iii) accurately interpolates the newest, extensive diffu sion-Monte Carlo data of Ortiz, Harris, and Ballone [Phys. Rev. Lett. 82, 5 317 (1999)]. This can be of interest for the study of electron correlations of real materials and for the construction of new exchange and correlation energy density functionals.