Relevance of atomic multiplet structure to models of cuprate layers

We calculate the spectra of two holes doped in a CuO$_{2}$ layer with Cu-d$^{10}$ and O-2p$^{6}$ including the full multiplet structure for both atoms. Distinct from previous studies that treated Cu as an impurity within a featureless O-2p band, we dealt with the lattice of Cu and employed the tight binding band structure to describe the O-2p band. We claim that the combination of the full Cu-3d multiplets and realistic O-2p band structure is important to understand the correlated properties of cuprates.
We also explored the connection between this model and the conventional three-orbital Emery model in terms of the renormalization of Cu-O hybridization.