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Spectra and total energies from self-consistent many-body perturbation theory

Schindlmayr, A, Pollehn, T J and Godby, R W (1998) Spectra and total energies from self-consistent many-body perturbation theory. Physical Review B (PRB). pp. 12684-12690. ISSN 1098-0121

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Abstract

With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GW Gamma scheme that includes a nontrivial vertex function and the fundamentally distinct Bethe-Goldstone approach based on the T matrix. The self-consistent Green's function G, as derived from Dyson's equation, is used not only in the self-energy but also to construct the screened interaction W for a model system. For all approximations we observe a similar deterioration of the spectrum, which is not removed by vertex corrections. In particular, satellite peaks are systematically broadened and move closer to the chemical potential. The corresponding total energies are universally raised, independent of the system parameters. Our results, therefore, suggest that any improvement in total energy due to self-consistency, such as for the electron gas in the GW approximation, may be fortuitous. [S0163-1829 (98)05040-1].

Item Type: Article
Copyright, Publisher and Additional Information: © 1998 American Physical Society. Published in Physical Review B and uploaded in accordance with the publisher's self archiving policy.
Keywords: QUASI-PARTICLE CALCULATIONS, GW APPROXIMATION, QUASIPARTICLE ENERGIES, ELECTRON-GAS, METALS, STATES, SEMICONDUCTORS, INSULATORS, BANDWIDTH
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 29 Sep 2008 09:53
Last Modified: 17 Oct 2013 14:40
Published Version: http://dx.doi.org/10.1103/PhysRevB.58.12684
Status: Published
Refereed: Yes
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/4008

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