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GW self-energy calculations for surfaces and interfaces (review in special CCP3 issue)

Garc'ia-González, P. and Godby, R.W. (2001) GW self-energy calculations for surfaces and interfaces (review in special CCP3 issue). Computer Physics Communications, 137 (1). pp. 108-122. ISSN 0010-4655

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The many-body GW approximation has become the most popular method in ab initio calculations of excited-state properties in real materials. GW overcomes many of the limitations of traditional density functional theories to predict one-electron excitation spectra for a wide variety of materials. In this article we review some applications of GW to real surfaces, from calculations of surface band structures in semiconductors to estimations of the lifetimes of surface states in metals.

Item Type: Article
Copyright, Publisher and Additional Information: © 2001 Elsevier Science B.V. Published in Computer Physics Communications and uploaded in accordance with the publisher's self archiving policy.
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 23 Oct 2008 15:10
Last Modified: 23 Oct 2008 15:10
Published Version: http://dx.doi.org/10.1016/S0010-4655(01)00174-6
Status: Published
Publisher: Elsevier
Identification Number: 10.1016/S0010-4655(01)00174-6
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/4012

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