Abstract
The atomic electronegativity, identified with the electronic chemical potential of the Energy Density Functional formalism has been studied by using an approximate functional containing gradient corrections. Only the valence electrons are taken into account and the effect of the ionic core is simulated by an empty core pseudopotential. The results are in close agreement with the experiments.
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Balbás, L.C., Alonso, J.A. & Iñiguez, M.P. Density Functional theory of the atomic electronegativity. Z Physik A 302, 307–310 (1981). https://doi.org/10.1007/BF01414261
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DOI: https://doi.org/10.1007/BF01414261