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research article

Accurate band gaps of extended systems via efficient vertex corrections in GW

Chen, Wei  
•
Pasquarello, Alfredo  
2015
Physical Review B

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.

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Type
research article
DOI
10.1103/PhysRevB.92.041115
Web of Science ID

WOS:000358602200001

Author(s)
Chen, Wei  
Pasquarello, Alfredo  
Date Issued

2015

Published in
Physical Review B
Volume

92

Issue

4

Article Number

041115

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
September 28, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/118905
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