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Cited by 284

The DOI matches its Crossref record; 68 of the 68 references it cites were found in a registry or an index.

The GW approximation: content, successes and limitations

Reining, Lucia·2018·WIREs Computational Molecular Science
DOI 10.1002/wcms.1344
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Abstract

Many observables such as the density, total energy, or electric current, can be expressed explicitly in terms of the one‐body Green's function, which describes electron addition or removal to or from a system. An efficient way to determine such a Green's function is to introduce a self‐energy, which is a nonlocal and dynamic effective potential that influences the propagation of particles in an interacting system. The state‐of‐the art approximation for the self‐energy is the GW approximation, where the system to (or from) which the electron is added (or removed) is described as a polarizable, screening, medium. This is expressed by the name of the approximation: ‘GW’ stands for the one‐body Green's function G and for W, the dynamically screened Coulomb interaction. The GW approximation is very popular for the calculation of band structures in solids, and increasingly used also to describe nanostructures, clusters, and molecules. As compared to static mean‐field approximations for the effective potential, the dynamical screening of the Coulomb interaction in GW leads to a renormalization of energies, to broadening and/or to the observation of additional excitations. An analysis of the approximations that lead to the GW self‐energy, and of the underlying picture, explains the successes and the limitations of the approach. This article is categorized under: Electronic Structure Theory > Density Functional Theory Electronic Structure Theory > Ab Initio Electronic Structure Methods Theoretical and Physical Chemistry > Spectroscopy Structure and Mechanism > Computational Materials Science

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Metadata

Authors
Reining, L.
Venue
WIREs Computational Molecular Science
Publisher
Wiley
Published
2017-12-27
Volume
8
Issue
3
ISSN
  • 1759-0876 (ISSN-L)
  • 1759-0884
DOI
10.1002/wcms.1344
OpenAlex
W2780208476
Cited by
284
References
68
FWCI
6.88
Type
journal article
Language
en
Open access
closed

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