Potential-Driven Adiabatic Connection in Density Functional Theory.

Abstract

As density functional theory conventionally assumes that the density of a chosen model system (e.g., the Kohn-Sham system) is the same as the exact one, one might expect that approximations to the exact density introduce supplementary errors by falsifying the density. In fact, this is not true: by modeling the exchange-correlation holes for all densities, density functional approximations avoid this problem. The technique used to show it is a potential-driven adiabatic connection which hopefully will also permit constructing new approximations in the spirit of DFT.