Self-consistent Overhauser model for the pair distribution function of an electron gas in dimensionalities D=3 and D=2 -: art. no. 075110

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作者
Davoudi, B
Polini, M
Asgari, R
Tosi, MP
机构
[1] Scuola Normale Super Pisa, NEST, INFM, I-56126 Pisa, Italy
[2] Scuola Normale Super Pisa, Classe Sci, I-56126 Pisa, Italy
[3] Inst Studies Theoret Phys & Math, Tehran 193955531, Iran
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T [工业技术];
学科分类号
08 ;
摘要
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 r(s), extending up to r(s)approximate to10 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 r(s)=5 in D=2, and has limited accuracy in regard to the spin-resolved components g(up arrowup arrow)(r) and g(up arrowdown arrow)(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.
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