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Phys. Rev. B 44, 13298–13307 (1991)

Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling

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Yue Wang and John P. Perdew
Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

Received 10 June 1991; published in the issue dated 15 December 1991

For a uniform electron gas of density n=n+n=3/4πrs3ks6/192 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)=F0dk ρ¯c/π. In the high-density (rs→0) limit, we find a simple scaling relation ksρ¯cg2f(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¯ cRPA obeys a generalization of Misawa’s spin-scaling relation for ɛcRPA, and that the low-density (rs→∞) limit of ɛcRPA is ∼rs-3/4.

© 1991 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.44.13298
DOI:
10.1103/PhysRevB.44.13298
PACS:
71.45.Gm, 71.45.Nt, 31.20.Sy