Diagrammatic self-energy approximations and the total particle number

A. Schindlmayr, P. García-González, R.W. Godby, Physical Review B 64 (2001).

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Journal Article | Published | English
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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 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.
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Journal Title
Physical Review B
Volume
64
Issue
23
Article Number
235106
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Schindlmayr A, García-González P, Godby RW. Diagrammatic self-energy approximations and the total particle number. Physical Review B. 2001;64(23). doi:10.1103/PhysRevB.64.235106
Schindlmayr, A., García-González, P., & Godby, R. W. (2001). Diagrammatic self-energy approximations and the total particle number. Physical Review B, 64(23). https://doi.org/10.1103/PhysRevB.64.235106
@article{Schindlmayr_García-González_Godby_2001, title={Diagrammatic self-energy approximations and the total particle number}, volume={64}, DOI={10.1103/PhysRevB.64.235106}, number={23235106}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno and García-González, Pablo and Godby, Rex William}, year={2001} }
Schindlmayr, Arno, Pablo García-González, and Rex William Godby. “Diagrammatic Self-Energy Approximations and the Total Particle Number.” Physical Review B 64, no. 23 (2001). https://doi.org/10.1103/PhysRevB.64.235106.
A. Schindlmayr, P. García-González, and R. W. Godby, “Diagrammatic self-energy approximations and the total particle number,” Physical Review B, vol. 64, no. 23, 2001.
Schindlmayr, Arno, et al. “Diagrammatic Self-Energy Approximations and the Total Particle Number.” Physical Review B, vol. 64, no. 23, 235106, American Physical Society, 2001, doi:10.1103/PhysRevB.64.235106.
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