About the Mulliken Electronegativity in DFT
arXiv:physics/0405005
Abstract
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.
20 pages, 1 figure, 1 table