About the Mulliken Electronegativity in DFT
classification
⚛️ physics.chem-ph
physics.atom-ph
keywords
electronegativitymullikenproposedvaluescheckedcomparedcomputingcriteria
read the original 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.
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