能量密度泛函的导数能否提供电负性的恰当定量表述？
化学物理
2012-09-28 v1
摘要
本文指出，尽管能量密度泛函的导数具有在基态平衡系统中变为常数的诱人性质，但它并不能提供有效的局部电负性度量。
引用
@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}
}
备注
unpublished sec.VI of arXiv:1107.4249v3 made into a separate paper