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
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.