Diagrammatic self-energy approximations and the total particle number

Arno Schindlmayr, P. García-González, and R. W. Godby
Phys. Rev. B 64, 235106 – Published 19 November 2001
PDFExport Citation

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 G0W0 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.

  • Received 17 May 2001

DOI:https://doi.org/10.1103/PhysRevB.64.235106

©2001 American Physical Society

Authors & Affiliations

Arno Schindlmayr1,*, P. García-González2, and R. W. Godby3

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4–6, 14195 Berlin-Dahlem, Germany
  • 2Departamento de Física Fundamental, Universidad Nacional de Educación a Distancia, Apartado 60141, 28080 Madrid, Spain
  • 3Department of Physics, University of York, Heslington, York YO10 5DD, United Kingdom

  • *Electronic address: schindlmayr@fhi-berlin.mpg.de

References (Subscription Required)

Click to Expand
Issue

Vol. 64, Iss. 23 — 15 December 2001

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×