Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

TL;DR

This paper derives the leading term in the strong-interaction limit of the adiabatic connection in Hartree-Fock theory, linking it to a functional of the Hartree-Fock density and comparing it with Kohn-Sham DFT.

Contribution

It introduces a method to determine the strong-interaction limit term from a Hartree-Fock density functional, expanding understanding of adiabatic connections in electronic structure theory.

Findings

The leading term can be fully determined from a Hartree-Fock density functional.

The functional shows similarities and differences with the Kohn-Sham density functional case.

Insights into the strong-interaction limit of the adiabatic connection in Hartree-Fock theory.

Abstract

We show that the leading term in the strong-interaction limit of the adiabatic connection that has as weak-interaction expansion the Moeller-Plesset perturbation theory can be fully determined from a functional of the Hartree-Fock density. We analyze this functional and highlight similarities and differences with the strong-interaction limit of the density-fixed adiabatic connection case of Kohn-Sham density functional theory.