Electronegativity Scale from Path Integral Formulation
化学物理
2007-05-23 v1
摘要
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.
引用
@article{arxiv.physics/0305030,
title = {Electronegativity Scale from Path Integral Formulation},
author = {Mihai V. Putz and Nino Russo},
journal= {arXiv preprint arXiv:physics/0305030},
year = {2007}
}
备注
21 pages, 1 figure, 4 tables, submitted