A problem with using a Coulomb wave expansion of 𝜓 in combination with the single-center electric-dipole approximation, 𝜓 𝑟𝑌 , Φ , is that selection rules stemming from orthogonality conditions are lost. By having the center of expansion of 𝜓 placed at the centroid of the Dyson orbital and therefore, in this case, displaced from the S and O atomic centers, multiple high angular momentum partial waves contribute significantly to the wave expansion even at low energies. In practice, we must truncate the expansion at some finite ℓ (in this case, we use ℓ 10, the maximum implemented in ezDyson). An even more serious issue is that a single-center expansion in terms of Coulomb waves is a monopolar approach which cannot reasonably account for the dipole moment of the neutral residue-a feature that will be shown to be critical in the present case. Both of these limitations are resolved in the second part of Sec. 4.3.