Efficient, long-range correlation from occupied wavefunctions only

Abstract

We use continuum mechanics [Tao \emph{et al}, PRL{\bf 103},086401] to approximate the dynamic density response of interacting many-electron systems. Thence we develop a numerically efficient exchange-correlation energy functional based on the Random Phase Approximation (dRPA). The resulting binding energy curve $E(D)$ for thin parallel metal slabs at separation $D$ better agrees with full dRPA calculations than does the Local Density Approximation. We also reproduce the correct non-retarded van der Waals (vdW) power law $E(D)\aeq -C_{5/2}D^{-5/2}$ as $D\to \infty$, unlike most vdW functionals.

4 pages, 1 figure

References in corpus (3)

• Dispersive and Covalent Interactions Between Graphene and Metal Surfaces from the Random Phase Approximation
• Efficient and accurate calculation of exact exchange and RPA correlation energies in the Adiabatic-Connection Fluctuation-Dissipation theory
• van der Waals Interactions Between Thin Metallic Wires and Layers

Cited by in corpus (5)

• Random-phase approximation and its applications in computational chemistry and materials science
• Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space
• Basis convergence of range-separated density-functional theory
• Excitation energies along a range-separated adiabatic connection
• Quantum Continuum Mechanics Made Simple