dorsal/arxiv
View SchemaElectronegativity Scale from Path Integral Formulation
| Authors | Mihai V. Putz, Nino Russo |
|---|---|
| Categories | |
| ArXiv ID | physics/0305030 |
| URL | https://arxiv.org/abs/physics/0305030 |
Abstract
In the framework of the density functional theory a new electronegativity formulation via the Feynman-Kleinert path integral formalism in the markovian limit is proposed. The computation of the electronic density follows, in terms of partition function, the same procedure of the Levy constrained-search for the wave function. The obtained electronegativity scale seems to respect the main criteria largely used for its acceptability.
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"abstract": "In the framework of the density functional theory a new electronegativity\nformulation via the Feynman-Kleinert path integral formalism in the markovian\nlimit is proposed. The computation of the electronic density follows, in terms\nof partition function, the same procedure of the Levy constrained-search for\nthe wave function. The obtained electronegativity scale seems to respect the\nmain criteria largely used for its acceptability.",
"arxiv_id": "physics/0305030",
"authors": [
"Mihai V. Putz",
"Nino Russo"
],
"categories": [
"physics.chem-ph"
],
"title": "Electronegativity Scale from Path Integral Formulation",
"url": "https://arxiv.org/abs/physics/0305030"
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