Constructing nonlocal density functionals for kinetic energy

TL;DR

This paper introduces a novel method for creating nonlocal energy density functionals that depend on density gradients, specifically applied to develop a nonlocal kinetic energy functional as a generalization of existing models.

Contribution

The paper presents a new approach for constructing nonlocal density functionals, expanding the capabilities of kinetic energy models beyond traditional local approximations.

Findings

Developed a nonlocal kinetic energy functional based on the new method

Demonstrated the functional as a generalization of Thomas-Fermi-Kirzhnits

Provided a framework for incorporating nonlocal effects in density functional theory

Abstract

A new method is proposed for constructing energy density functionals, which include a nonlocal dependence on the density gradients. This method is used to construct functionals for kinetic energy, which is a nonlocal generalization of the Thomas-Fermi-Kirzhnits functional.