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Dielectric function and thermodynamic properties of jellium in the GW approximation
KTH, School of Engineering Sciences (SCI), Theoretical Physics. Kurchatov Institute, Russia.
2017 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 95, no 19, article id 195131Article in journal (Refereed) Published
Abstract [en]

The fully self-consistent GW approximation is an established method for electronic structure calculations. Its most serious deficiency is known to be an incorrect prediction of the dielectric response. In this work, we examine the GW approximation for the homogeneous electron gas and find that problems with the dielectric response are drastically improved by enforcing the particle-number conservation law in the polarization function. We also find that previously reported data for the ground-state energy contradict each other well outside of reported error bounds. Some of these results created a false impression of how accurate the fully self-consistent GW approximation is. Our two independent implementations of the GW method agree with the data plotted in X.-Z. Yan [Phys. Rev. E 84, 016706 (2011)], thus confirming only that data set. We also present values for other key Fermi-liquid properties.

Place, publisher, year, edition, pages
American Physical Society, 2017. Vol. 95, no 19, article id 195131
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-208810DOI: 10.1103/PhysRevB.95.195131ISI: 000401450000001OAI: oai:DiVA.org:kth-208810DiVA, id: diva2:1108818
Funder
Swedish Research Council, 642-2013-7837
Note

QC 20170713

Available from: 2017-06-13 Created: 2017-06-13 Last updated: 2017-11-29Bibliographically approved

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Prokof'ev, Nikolay V.
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