Short-range correlation in the uniform electron gas: Extended Overhauser model

Paola Gori-Giorgi and John P. Perdew
Phys. Rev. B 64, 155102 – Published 18 September 2001
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Abstract

We use the two-electron wave functions (geminals) and the simple screened Coulomb potential proposed by Overhauser [Can. J. Phys. 73, 683 (1995)] to compute the pair-distribution function g(r) for a uniform electron gas, finding the exact g(0) for this model and extending the results from g(0) to g(r). We find that the short-range (r<rs) part of this g(r) is in excellent agreement with quantum Monte Carlo simulations for a wide range of electron densities. We are thus able to estimate the value of the second-order (r2) coefficient of the small interelectronic-distance expansion of the pair-distribution function. The coefficients of the small-r expansion of the spin-resolved gσσ(r) have density or rs dependencies which we parametrize in a way that makes it easy to find their coupling-constant averages. Their spin-polarization or ζ dependencies are estimated from a proposed spin-scaling relation.

  • Received 30 April 2001

DOI:https://doi.org/10.1103/PhysRevB.64.155102

©2001 American Physical Society

Authors & Affiliations

Paola Gori-Giorgi1,2,* and John P. Perdew1

  • 1Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118
  • 2Unità INFM di Roma “La Sapienza,” Piazzale Aldo Moro 2, 00185 Rome, Italy

  • *Present address: Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale A. Moro 2, 00185 Rome, Italy.

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Vol. 64, Iss. 15 — 15 October 2001

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