Does the derivative of the energy density functional provide a proper quantitative formulation of electronegativity?
Chemical Physics
2012-09-28 v1
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.
Keywords
Cite
@article{arxiv.1209.6353,
title = {Does the derivative of the energy density functional provide a proper quantitative formulation of electronegativity?},
author = {Tamas Gal},
journal= {arXiv preprint arXiv:1209.6353},
year = {2012}
}
Comments
unpublished sec.VI of arXiv:1107.4249v3 made into a separate paper