A Feynman dispersion correction: a proof of principle for MNDO

a dispersion correction is introduced and tested for mndo. the shift in electron density caused by the interaction between oscillating dipoles in the london picture of dispersion is mimicked by adding a small r−7-dependent attractive nucleus–electron potential to the core hamiltonian. this potential results in a shift in electron density similar to that used by feynman to explain dispersion. the resulting parameterized self-consistent and inherently multicenter treatment (mndo-f) gives good results for chno compounds that do not exhibit hydrogen bonds, which mndo cannot reproduce. this “feynman” dispersion correction is also applicable to hartree–fock and density functional theory.