Pair density-functional theory by means of the correlated wave function

Abstract

We present a density-functional scheme for calculating the pair density (PD) by means of the correlated wave function. The Jastrow wave function is adopted as the correlated wave function. By using the lowest-order approximation to the Jastrow wave function PDs, the search region for the ground-state PD is substantially extended as compared with our previous theory. The variational principle results in simultaneous equations that are practicable to calculate the ground-state PD. © 2007 The American Physical Society.