Ab initio GW quasiparticle calculation of small alkali-metal clusters

Soh Ishii, Kaoru Ohno, Kaoru Ohno, Kaoru Ohno, Yoshiyuki Kawazoe, Steven G. Louie

研究成果: Article査読

45 被引用数 (Scopus)

抄録

Quasiparticle energies of small alkali-metal clusters (Lin, Nan, Kn; n = 2,4,6,8) are evaluated from first principles by means of the GW approximation with the generalized plasmon-pole model. An all-electron mixed-basis approach, in which wave function is represented as a linear combination of both plane waves and atomic orbitals, is adopted in the calculation. Obtained quasiparticle energies (ionization potential and electron affinity) are in good agreement with available experimental data.

本文言語English
論文番号245109
ページ(範囲)2451091-2451096
ページ数6
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
65
24
DOI
出版ステータスPublished - 2002 6月 15
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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