Supplement Number 1

Information on the convergence of the FDM procedure with respect to numerical parameters and the dispersal basis, dispersion coefficients when using the Kohn--Sham pair density, comparison of the multipole moment integrals between the Becke--Roussel FDM and CCSD, the multipole moment integrals for the Becke--Roussel FDM with varying scaling values, and information on how to reproduce the results are given in the supplementary material.