Density functional scheme for calculating the pair density

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.

5 pages

References in corpus (3)

• Arbitrary Choice of Basic Variables in Density Functional Theory. I. Formalism
• N-representability of two-electron densities and density matrices and the application to the few-body problem
• Arbitrary Choice of Basic Variables in Density Functional Theory. II. Illustrative Applications

Cited by in corpus (2)

• Pair density functional theory by means of the correlated wave function
• Reduction of g-factor due to Rashba effect in graphene