GWT approximation for electron self-energies in semiconductors and insulators

TitleGWT approximation for electron self-energies in semiconductors and insulators
Publication TypePalaiseau Article
Acknowledgements

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Author Address

DELSOLE, R (Reprint Author), UNIV PARIS 11,CTR EUROPEAN CALCUL ATOM & MOLEC,BATIMENT 506,F-91405 ORSAY,FRANCE. UNIV ROMA TOR VERGATA,DIPARTIMENTO FIS,I-00133 ROME,ITALY. ECOLE POLYTECH,CTR NATL RECH SCI,COMM ENERGIE ATOM,SOLIDES IRRADIES LAB,F-91128 PALAISEAU,FRANCE. UNIV CAMBRIDGE,CAVENDISH LAB,CAMBRIDGE CB3 0HE,ENGLAND.

Del Sole, R, Reining, L, Godby, RW
Year of Publication1994
JournalPhys. Rev. B
Volume49
Keywordspaper
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 GAMMA. We estimate 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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