Does the derivative of the energy density functional provide a proper quantitative formulation of electronegativity?
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.
- Publication:
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arXiv e-prints
- Pub Date:
- September 2012
- DOI:
- arXiv:
- arXiv:1209.6353
- Bibcode:
- 2012arXiv1209.6353G
- Keywords:
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- Physics - Chemical Physics
- E-Print:
- unpublished sec.VI of arXiv:1107.4249v3 made into a separate paper