All wave functions can be variationally optimized. The local excited in pink (Lex) and charge transfer diabatic states in light yellow background denote the minimum active space (MAS) for the exciton and super-exchange states. The energy changes are defined by eq 4 for the local interaction energy Δ𝐸𝐸 Lint , eq 6 for the exciton excitation energy Δ𝐸𝐸 Ex , eq 9 for the superexchange stabilization energy Δ𝐸𝐸 SE , and eq 10 for the orbital and configuration delocalization effects Δ𝐸𝐸 OCD . The definition of the respective wave functions can also be found in these equations.