Schindlmayr, A, Garcia-Gonzalez, P and Godby, R W (2001) Diagrammatic self-energy approximations and the total particle number. Physical review b. -. ISSN 1098-0121
Full text available as:![[img]](http://eprints.whiterose.ac.uk/style/images/fileicons/text.png) |
Text (godby.pdf)
godby.pdf Download (216Kb) |
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 |
| Academic Units: | The University of York > Physics (York) |
| Depositing User: | Physics Import |
| Date Deposited: | 17 Sep 2008 17:33 |
| Last Modified: | 19 Feb 2013 12:04 |
| 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 |
Actions (login required)
 |
View Item |
