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Phys. Rev. B 66, 075110 (2002) [8 pages]

Self-consistent Overhauser model for the pair distribution function of an electron gas in dimensionalities D=3 and D=2

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B. Davoudi1,2, M. Polini1, R. Asgari1,2, and M. P. Tosi1
1NEST-INFM and Classe di Scienze, Scuola Normale Superiore, I-56126 Pisa, Italy
2Institute for Studies in Theoretical Physics and Mathematics, Tehran 19395-5531, Iran

Received 23 January 2002; revised 17 April 2002; published 13 August 2002

We present self-consistent calculations of the spin-averaged pair distribution function g(r) for a homogeneous electron gas in the paramagnetic state in both three and two dimensions, based on an extension of a model that was originally proposed by Overhauser [Can. J. Phys. 73, 683 (1995)] and further evaluated by Gori-Giorgi and Perdew [Phys. Rev. B 64, 155102 (2001)]. The model involves the solution of a two-electron scattering problem via an effective Coulombic potential, which we determine within a self-consistent Hartree approximation. We find numerical results for g(r) that are in excellent agreement with quantum Monte Carlo data at low and intermediate coupling strength rs, extending up to rs10 in dimensionality D=3. However, the Hartree approximation does not properly account for the emergence of a first-neighbor peak at stronger coupling, such as at rs=5 in D=2, and has limited accuracy in regard to the spin-resolved components g(r) and g(r). We also report calculations of the electron-electron s-wave scattering length, to test an analytical expression proposed by Overhauser in D=3 and to present new results in D=2 at moderate coupling strength. Finally, we indicate how this approach can be extended to evaluate the pair distribution functions in inhomogeneous electron systems and hence to obtain improved exchange-correlation energy functionals.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.66.075110
DOI:
10.1103/PhysRevB.66.075110
PACS:
71.10.Ca, 71.45.Gm