Comment on ‘‘Correlation holes in a spin-polarized dense electron gas’’

Physical Review B 62, 2227 - 2231 (2000)

Comment on ‘‘Correlation holes in a spin-polarized dense electron gas’’

K. Schmidt, S. Kurth, J. Tao, J.P. Perdew

Rassolov, Pople, and Ratner [Phys. Rev. B 59, 15 625 (1999)] used first-order perturbation theory to predict the short-range, high-density limit for the Coulomb correlation hole around an electron in a uniform electron gas, and compared their result with the parametrization of Perdew and Wang [Phys. Rev. B 46, 12 947 (1992)](PW92). We find that their figures do not correctly represent the PW92 expressions, and we present corrected figures. At the highest density (rs=0.8) for which we can make a numerical comparison with the diffusion Monte Carlo method, we show that the PW92 correlation holes are valid. We suggest that the PW92 expressions may also be valid over the range 0.10) limit suggested by the PW92 correlation hole for the fully spin-polarized case is smaller than the perturbative results of Rassolov, Pople, and Ratner by a factor of about 3, but is consistent with our own study of the approach to this limit within the random-phase approximation. We also suggest an improved spin resolution of the PW92 correlation hole, which for rs=0.1 agrees with Ueda’s gup down [Prog. Theor. Phys. 26, 45 (1961)].

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http://dx.doi.org/10.1103/PhysRevB.62.2227

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