Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling
Abstract
For a uniform electron gas of density n=n↑+n↓=3/4πr3s=πk6s/192 and spin polarization ζ=(n↑-n↓)/n, we study the Fourier transform ρ¯c(k,rs,ζ) of the correlation hole, as well as the correlation energy ɛc(rs,ζ)=F∞0dk ρ¯c/π. In the high-density (rs-->0) limit, we find a simple scaling relation ksρ¯c/πg2-->f(z,ζ), where z=k/gks, g=[(1+ζ)2/3+(1-ζ)2/3]/2, and f(z,1)=f(z,0). The function f(z,ζ) is only weakly ζ dependent, and its small-z expansion -3z/π2+4 √3 z2/π2+... is also the exact small-wave-vector (k-->0) expansion for any rs or ζ. Motivated by these considerations, and by a discussion of the large-wave-vector and low-density limits, we present two Padé representations for ρ¯c at any k, rs, or ζ, one within and one beyond the random-phase approximation (RPA). We also show that ρ¯ RPAc obeys a generalization of Misawa's spin-scaling relation for ɛRPAc, and that the low-density (rs-->∞) limit of ɛRPAc is ~r-3/4s.
- Publication:
-
Physical Review B
- Pub Date:
- December 1991
- DOI:
- 10.1103/PhysRevB.44.13298
- Bibcode:
- 1991PhRvB..4413298W
- Keywords:
-
- 71.45.Gm;
- 71.45.Nt;
- 31.20.Sy;
- Exchange correlation dielectric and magnetic response functions plasmons