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

Tamas Gal

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arXiv · 1209.6353

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

Tamas Gal

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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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Tamas Gal. 2012-09-27. Does the derivative of the energy density functional provide a proper quantitative formulation of electronegativity?. https://arxiv.org/abs/1209.6353

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