Does the derivative of the energy density functional provide a proper quantitative formulation of electronegativity?

2012/09/27 by Gal, Tamas
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.1209.6353

Abstract

It is pointed out that the derivative of the energy density functional does not provide a valid local electronegativity measure, in spite of its appealing property of becoming constant for ground-state equilibrium systems.

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