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Simple vertex correction improves GW band energies of bulk and two-dimensional crystals

Abstract:

The GW self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections and the use of a density-functional theory starting point lack rigorous justification. In this work we remedy this situation by including a simple vertex correction that is consistent with a local-density approximation starting point. We analyze the effect of the self-energy by splitting it into short-range and long-r...

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Publication status:
Published
Peer review status:
Peer reviewed

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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
ORCID:
0000-0002-1843-1269
Publisher:
American Physical Society
Journal:
Physical Review B More from this journal
Volume:
96
Issue:
20
Article number:
205206
Publication date:
2017-11-30
Acceptance date:
2017-10-16
DOI:
EISSN:
2469-9969
ISSN:
2469-9950
Keywords:
Pubs id:
pubs:1058971
UUID:
uuid:6961b6b8-01ef-46f0-986c-4a77bbaf8295
Local pid:
pubs:1058971
Source identifiers:
1058971
Deposit date:
2019-10-18

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