okada 4d - An Overview
The result exhibits that the very first ionization state and the lowest affinity point out have sizeable O 2p character due to substantial hopping matrix element involving Ti (V) 3d and O 2p orbitals. In par...We use the single-website impurity Anderson model with 5 Cu 3d orbitals and O 2p valence bands specified because of the irreducible represen