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

被引:71
作者
Gori-Giorgi, P
Perdew, JP
机构
[1] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA
[2] Tulane Univ, Quantum Theory Grp, New Orleans, LA 70118 USA
[3] Unita INFM Roma La Sapienza, I-00185 Rome, Italy
关键词
D O I
10.1103/PhysRevB.64.155102
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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<r(s)) part of this g(r) is in excellent agreement with quantum Monte Carlo simulations for a wide ran-e of electron densities. We are thus able to estimate the value of the second-order (r(2)) coefficient of the small interelectronic-distance expansion of the pair-distribution function. The coefficients of the small-r expansion of the spin-resolved g(<sigma>sigma')(r) have density or r(s) dependencies which we parametrize in a way that makes it easy to find their coupling-constant averages. Their spin-polarization or zeta dependencies are estimated from a proposed spin-scaling relation.
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页数:8
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