Total Energies from GW Calculations

Bengt Holm
Phys. Rev. Lett. 83, 788 – Published 26 July 1999
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Abstract

The possibilities of obtaining accurate total energies from GW calculations at various levels of self-consistency are investigated. In the conserving approximation known as the fully self-consistent GW approach there is no ambiguity in calculating the total energy, and the results for the electron gas compare well with those of accurate Monte Carlo calculations. We demonstrate how to obtain chemical potentials and total energies of similar accuracy from partially self-consistent ( GW0) calculations.

  • Received 21 December 1998

DOI:https://doi.org/10.1103/PhysRevLett.83.788

©1999 American Physical Society

Authors & Affiliations

Bengt Holm

  • Department of Theoretical Physics, University of Lund, S-223 62 Lund, Sweden and Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden

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Vol. 83, Iss. 4 — 26 July 1999

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