We. Pickett et Jq. Broughton, VARIATIONAL MONTE-CARLO STUDY OF THE PARTIALLY POLARIZED ELECTRON-GAS, Physical review. B, Condensed matter, 48(20), 1993, pp. 14859-14867
The variational Monte Carlo (VMC) method, using Jastrow-Slater (JS) wa
ve functions, is used to study the partially polarized interacting ele
ctron gas for densities spanning the range encountered in bulk metals.
We concentrate on a spin polarization zeta=0.42 which allows direct c
omparison of polarized and unpolarized states for a fixed total number
of electrons in the simulation supercell. The radial distribution fun
ctions g(++)(r), g(__)(r), and g(+_)(r) are given particular attention
and compared with a model developed by Perdew and Wang (PW) that sati
sfies known constraints. At high density the agreement with the PW mod
el is good. At the lower densities (electron-gas parameter r(s)=4-8) t
here are differences that can be roughly characterized as the PW model
giving a somewhat more extended exchange-correlation hole than the VM
C calculations. These discrepancies could be due to limitations either
of the PW model or of the JS wave functions used here. Both the VMC a
nd PW results are contrasted with the Hartree-Fock result for parallel
spins.