Electronic interaction $U_{pp}$ on oxygen $p$ orbitals in oxides: Role of correlated orbitals on the example of UO${}_2$ and TiO${}_2$

Robinson Outerovitch, Bernard Amadon

We carry out a detailed study of the role of electronic interaction on $p$ oxygen orbitals in a Mott insulator oxide (UO${}_2$) and a charge transfer oxide (TiO${}_2$). First, we calcu…