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.
|ジャーナル||Physical Review B - Condensed Matter and Materials Physics|
|出版ステータス||Published - 2002 6月 15|
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