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physics.chem-ph2004
About the Mulliken Electronegativity in DFT
Mihai V. Putz, Nino Russo, Emilia Sicilia
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 e…
physics.chem-ph2003★ 1 cited
Electronegativity Scale from Path Integral Formulation
Mihai V. Putz, Nino Russo
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 compu…