research article
Accurate band gaps of extended systems via efficient vertex corrections in GW
2015
We propose the use of an approximate bootstrap exchange-correlation kernel to account for vertex corrections in self-consistent GW calculations. We show that the approximate kernel gives accurate band gaps for a variety of extended systems, including simple sp semiconductors, wide band-gap insulators, and transition-metal compounds with either closed or open d shells. The accuracy is comparable with that obtained via the solution of the Bethe-Salpeter equation but only at a fraction of the computational cost.
Type
research article
Web of Science ID
WOS:000358602200001
Author(s)
Date Issued
2015
Published in
Volume
92
Issue
4
Article Number
041115
Editorial or Peer reviewed
REVIEWED
Written at
EPFL
EPFL units
Available on Infoscience
September 28, 2015
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