The itinerant LCAO picture based on localized atomic-like orbitals has
been used to study the electronic ground state of NiO. The U-correcte
d local spin-density approximation (LSDA+U) yields energy-dispersion c
urves which show satisfactory agreement with the angular photoemission
measurements. As a result the d states appear as narrow and well iden
tified bands located above the 2p oxygen bands. The on-site Coulomb en
ergy U increases the 2p character within the upper d valence band but
not to the extent that NiO can be considered as a charge-transfer insu
lator.