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GW Γ approximation for electron self-energies in semiconductors and insulators
Abstract
The widely used GW approximation for the self-energy operator of a system of interacting electrons may, in principle, be improved using an approximate vertex correction \ensuremath{\Gamma}. We estimate \ensuremath{\Gamma} using the local-density approximation. We report the results of a comparable series of GW calculations for the band structure of silicon, in which such a vertex correction is (i) excluded entirely, (ii) included only in the screened Coulomb interaction W, and (iii) included in both W and the expression for the self-energy. We also discuss the symmetry properties of the exact vertex correction and how they may be retained in further improvements.
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Citations
Cited by
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Onida, G., Reining, L., & Rubio, A. (2002) · Reviews of Modern Physics · doi:10.1103/revmodphys.74.601 · Cited by 4,155
Self-citationImplementation and performance of the frequency-dependentGWmethod within the PAW framework
Shishkin, M., & Kresse, G. (2006) · Physical Review B · doi:10.1103/physrevb.74.035101 · Cited by 960
Accurate treatment of solids with the HSE screened hybrid
Henderson, T. M., Paier, J., & Scuseria, G. E. (2011) · physica status solidi (b) · doi:10.1002/pssb.201046303 · Cited by 339
Calculation of second-order optical response in semiconductors
Hughes, J. L. P., & Sipe, J. E. (1996) · Physical Review B · doi:10.1103/physrevb.53.10751 · Cited by 295
Electronic-structure methods for materials design
Marzari, N., Ferretti, A., & Wolverton, C. (2021) · Nature Materials · doi:10.1038/s41563-021-01013-3 · Cited by 253
Metadata
- Authors
- Del Sole, R., Reining, L., & Godby, R. W.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1994-03-15
- Volume
- 49
- Issue
- 12
- Pages
- 8024-8028
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2026444547
- Cited by
- 170
- References
- 0
- FWCI
- 2.44
- Type
- journal article
- Language
- en
- Open access
- closed
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