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arxiv: cond-mat/0601136 · v1 · pith:SATWD34Qnew · submitted 2006-01-07 · ❄️ cond-mat.str-el · cond-mat.other

Density functional scheme for calculating the pair density

classification ❄️ cond-mat.str-el cond-mat.other
keywords densityfunctionalkineticcalculatingcontributionenergyequationform
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The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic contribution of the exchange-correlation energy functional as the correlation potential. The practical form of the kinetic contribution is also proposed with the aid of the scaling relations of the kinetic energy functionals.

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