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The GW method

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Published under licence by IOP Publishing Ltd
, , Citation F Aryasetiawan and O Gunnarsson 1998 Rep. Prog. Phys. 61 237 DOI 10.1088/0034-4885/61/3/002

0034-4885/61/3/237

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.

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10.1088/0034-4885/61/3/002