Here, Greek indices denote AOs, ϱ AmDm αβ an AO matrix element of the TDM ϱ ϱ ϱ AmDm (cf. Eq. ( )), and V n αβ is the matrix element of the nuclear potential of the nuclei of monomer n computed in the basis of AOs residing on monomer m and vice versa. Both one-electron integrals