TheGWmethod

1997/12/01 by F Aryasetiawan, F. Aryasetiawan, O Gunnarsson +1 · 1,791 citations
Chemistry · Engineering · Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Advanced Physical and Chemical Molecular Interactions #Born–Huang approximation #Excited state #Function (biology) #High frequency approximation #Operator (biology) #Optical properties and cooling technologies in crystalline materials #Thermal Radiation and Cooling Technologies #cond-mat.str-el

paper · pdf · doi:10.1088/0034-4885/61/3/002

published in Reports on Progress in Physics 61(3), 237-312 (IOP Publishing) · 75 pages, latex2e, 21 eps figure, additional material avalable at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/gw/

arxiv created 1997/12/01 · openalex publication_date 1998/03/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

Calculations of ground-state and excited-state properties of materials have been one of the major goals of condensed matter physics. Ground-state properties of solids have been extensively investigated for several decades within the standard density functional theory. Excited-state properties, on the other hand, were relatively unexplored in ab initio calculations until a decade ago. The most suitable approach up to now for studying excited-state properties of extended systems is the Green function method. To calculate the Green function one requires the self-energy operator which is non-local and energy dependent. In this article we describe the GW approximation which has turned out to be a fruitful approximation to the self-energy. The Green function theory, numerical methods for carrying out the self-energy calculations, simplified schemes, and applications to various systems are described. Self-consistency issue and new developments beyond the GW approximation are also discussed as well as the success and shortcomings of the GW approximation.

Citations

• New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
• One-Particle Properties of an Inhomogeneous Interacting Electron Gas
• A Collective Description of Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas
• A Collective Description of Electron Interactions: II. CollectivevsIndividual Particle Aspects of the Interactions

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