中文

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.

关键词

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