Schindlmayr, A, Garcia-Gonzalez, P and Godby, R W orcid.org/0000-0002-1012-4176 (2001) Diagrammatic self-energy approximations and the total particle number. Physical Review B. 235106. -. ISSN 2469-9969
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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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 |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) |
Depositing User: | Physics Import |
Date Deposited: | 17 Sep 2008 17:33 |
Last Modified: | 25 Nov 2024 00:18 |
Published Version: | https://doi.org/10.1103/PhysRevB.64.235106 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1103/PhysRevB.64.235106 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:4013 |