Comparison between the full frequency integration and the GPP model in ab-initio GW calculation of Na clusters

Soh Ishii, Kaoru Ohno, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

An ab initio calculation of electronic excitation energies based on the GW approximation is performed by using the all-electron mixed-basis approach. The generalized plasmon-pole (GPP) model is used to determine the electron self-energy and the results are compared with our previous results using the full frequency integration (S. Ishii, et al., Phys. Rev. B 63 155104 (2001)). It is found that the two methods with and without the GPP model agrees well in the case of sodium clusters.

Original languageEnglish
Pages (from-to)2150-2152
Number of pages3
JournalMaterials Transactions
Volume42
Issue number11
DOIs
Publication statusPublished - 2001 Nov

Keywords

  • All electron
  • GW approximation
  • Generalized plasmon-pole model
  • Mixed-basis approach
  • Sodium cluster
  • ab initio

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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