Abstract
Ab initio self-consistent exchange parameters αSCF have been introduced into theX α method. Slater’s transition-state method and the definition of electronegativity given by Iczkowski and Margrave have been applied. First ionization energy, electron affinity and electronegativity have been calculated.
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Gáspár, R., Nagy, Á. The first ionization energy, electron affinity and electronegativity calculated by theX α method with ab initio self-consistent exchange parameter. Acta Physica Hungarica 64, 405–416 (1988). https://doi.org/10.1007/BF03053845
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DOI: https://doi.org/10.1007/BF03053845