Many-body approach to infinite non-periodic systems: application to the surface of semi-infinite jellium

TL;DR

This paper introduces a Green function method within the GW approximation tailored for infinite non-periodic systems, exemplified by the surface of semi-infinite jellium, to analyze surface electronic properties.

Contribution

It presents a novel approach to apply many-body Green function formalism to non-periodic systems with known asymptotic behavior, focusing on surface phenomena.

Findings

Calculated dielectric function near the surface

Analyzed effective potential variations

Studied charge density effects on screening

Abstract

A method to implement the many-body Green function formalism in the GW approximation for infinite non periodic systems is presented. It is suitable to treat systems of known ``asymptotic'' properties which enter as boundary conditions, while the effects of the lower symmetry are restricted to regions of finite volume. For example, it can be applied to surfaces or localized impurities. We illustrate the method with a study of the surface of semi-infinite jellium. We report the dielectric function, the effective potential and the electronic self-energy discussing the effects produced by the screening and by the charge density profile near the surface.