Screened extended Koopmans' theorem: Photoemission at weak and strong correlation

By introducing electron screening in the extended Koopmans' theorem we correctly describe the band gap opening in weakly as well as strongly correlated systems. We show this by applying our method to bulk LiH, Si, and paramagnetic as well as antiferromagnetic NiO. Although incorrect features re...

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Veröffentlicht in:	Physical review. B 2023-01, Vol.107 (3), Article 035111
Hauptverfasser:	Di Sabatino, S., Koskelo, J., Berger, J. A., Romaniello, P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed Matter Physics
Online-Zugang:	Volltext
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