Quasiparticle properties in a density-functional framework Academic Article uri icon

  • Overview
  • Research
  • Identity
  • Additional Document Info
  • View All


  • We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham scheme (which is embedded as a special case). It is based on separating the Green's function into a quasi-particle part and a background part, and expressing only the background part as a functional of the density matrix. The calculated single-particle energies and wave functions have a clear physical interpretation as quasiparticle energies and orbitals.


  • Van Neck, D
  • Verdonck, S
  • Bonny, G
  • Ayers, Paul
  • Waroquier, M

publication date

  • October 9, 2006