Density functional scheme for calculating the pair density

Masahiko Higuchi; Katsuhiko Higuchi

doi:10.1016/j.jmmm.2006.10.412

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Density functional scheme for calculating the pair density

Masahiko Higuchi·Katsuhiko Higuchi

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Abstract

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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Masahiko Higuchi, Katsuhiko Higuchi. 2006-01-07. Density functional scheme for calculating the pair density. https://doi.org/10.1016/j.jmmm.2006.10.412

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