电负性
穆利肯种群分析
计算化学
统计物理学
密度泛函理论
化学
物理
量子力学
作者
Mihai V. Putz,Nino Russo,Emilia Sicilia
标识
DOI:10.48550/arxiv.physics/0405005
摘要
In the framework of density functional theory a new formulation of electronegativity that recovers the Mulliken definition is proposed and its reliability is checked by computing electronegativity values for a large number of elements. It is found that the obtained values, which are compared with previously proposed electronegativity scales, fulfill the main periodic criteria.
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