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Beyond the quasiparticle approximation: Fully self-consistent GW calculations

  • Manuel Grumet
  • , Peitao Liu (Corresponding author)
  • , Merzuk Kaltak
  • , Jiri Klimes
  • , Georg Kresse

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number155143
Number of pages9
JournalPhysical Review B
Volume98
Issue number15
DOIs
Publication statusPublished - 29 Oct 2018

Funding

This work was supported by the FWF within the SFB ViCoM (Grant No. F 41). Supercomputing time on the Vienna Scientific cluster (VSC) is gratefully acknowledged. J.K. was supported by the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 658705.

Austrian Fields of Science 2012

  • 103018 Materials physics

Keywords

  • AUGMENTED-WAVE METHOD
  • SPACE-TIME METHOD
  • COVALENT CRYSTAL
  • BAND-STRUCTURE
  • ELECTRON-GAS
  • SEMICONDUCTORS
  • INSULATORS
  • SYSTEMS
  • ENERGY
  • MOLECULES

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