Generalized Slater-Jastrow trial functional: Application to high order correlations in the two and three dimensional electron gas

TL;DR

This paper introduces a generalized trial functional with momentum-dependent arguments for the electron gas, providing new high-order correlation energy calculations in 2D and 3D systems.

Contribution

It develops a modified Slater-Jastrow functional with momentum dependence and derives the first three terms of correlation energies using Euler equations.

Findings

Calculated correlation energies for 2D and 3D electron gases.

Derived high-order terms in correlation energy expansions.

Provided numerical estimates for high-density regimes.

Abstract

The Generalized Slater-Jastrow trial functional is a modification of the Slater-Jastrow functional where, effectively, the argument of the Jastrow factor can be momentum dependent. The associated Euler equations, which provide an alternative to the usual approach via perturbation theory, are solved to yield the firs three terms of the electron correlation energies for the two and three dimensional electron gas at high density. In two dimensions we find -0.4039 -0.50 r log r plus an estimated -0.87 r Ry. For three dimensions we find 0.0622 log r -0.082 + 0.059 r log r plus an estimated -0.015 r Ry, where r is the applicable Seitz radius in each case.