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November 15, 1992Physical review. B, Condensed matter1,016 citations

Pair-distribution function and its coupling-constant average for the spin-polarized electron gas

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JPJohn P. PerdewYWYue Wang

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Abstract

The pair-distribution function g describes physical correlations between electrons, while its average g over coupling constant generates the exchange-correlation energy. The former is found from the latter by g= (1-a₀/a₀) g, where a₀ is the Bohr radius. We present an analytic representation of g (and hence g) in real space for a uniform electron gas with density parameter rₒ and spin polarization. This expression has the following attractive features: (1) The exchange-only contribution is treated exactly, apart from oscillations we prefer to ignore. (2) The correlation contribution is correct in the high-density (rₒ0) and nonoscillatory long-range (R) limits. (3) The value and cusp are properly described in the short-range (R0) limit. (4) The normalization and energy integrals are respected. The result is found to agree with the pair-distribution function g from Ceperley's quantum Monte Carlo calculation. Estimates are also given for the separate contributions from parallel and antiparallel spin correlations, and for the long-range oscillations at a high finite density.

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Cite This Study

Perdew et al. (1992) studied this question.

synapsesocial.com/papers/6a0fb7f89e54838161fd1829https://doi.org/10.1103/physrevb.46.12947
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