The linear relationship between molecular core binding energies (as measured by X-ray photoelectron spectroscopy or calculated by an “ab initio” SCF–LCAO method) and the Mulliken gross atomic charges is restored if the interatomic Madelung potential is taken into account.
A. van der Avoird, J. Chem. Soc. D, 1970, 727 DOI: 10.1039/C29700000727
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