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Diagrammatic self-energy approximations and the total particle number

Schindlmayr, A, Garcia-Gonzalez, P and Godby, R W (2001) Diagrammatic self-energy approximations and the total particle number. Physical review b. 235106. -. ISSN 1098-0121

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Abstract

There is increasing interest in many-body perturbation theory as a practical tool for the calculation of ground-state properties. As a consequence, unambiguous sum rules such as the conservation of particle number under the influence of the Coulomb interaction have acquired an importance that did not exist for calculations of excited-state properties. In this paper we obtain a rigorous, simple relation whose fulfilment guarantees particle-number conservation in a given diagrammatic self-energy approximation. Hedin's G(0)W(0) approximation does not satisfy this relation and hence violates the particle-number sum rule. Very precise calculations for the homogeneous electron gas and a model inhomogeneous electron system allow the extent of the nonconservation to be estimated.

Item Type: Article
Copyright, Publisher and Additional Information: © 2001 American Physical Society. Published in Physical Review B and uploaded in accordance with the publisher's self archiving policy.
Keywords: SPACE-TIME METHOD, ELECTRON-GAS, SPECTRAL FUNCTIONS, GW APPROXIMATION, BAND-GAPS, SEMICONDUCTORS, SURFACE, DENSITY, CONSERVATION, INSULATORS
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 17 Sep 2008 17:33
Last Modified: 16 Oct 2014 06:50
Published Version: http://dx.doi.org/10.1103/PhysRevB.64.235106
Status: Published
Refereed: Yes
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/4013

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