Abstract
Quasiparticle energies of small alkali-metal clusters are evaluated from first principles by means of the 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.
- Received 27 December 2001
DOI:https://doi.org/10.1103/PhysRevB.65.245109
©2002 American Physical Society