Generalized Kohn-Sham schemes and the band-gap problem

As an alternative to the standard Kohn-Sham procedure, other exact realizations of density-functional theory (generalized Kohn-Sham methods) are presented. The corresponding generalized Kohn-Sham eigenvalue gaps are shown to incorporate part of the discontinuity ${\mathrm{\ensuremath{\Delta}}}_{\mat... View More