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Digitale Medien

Density Functional theory of the atomic electronegativity (1981)

Balbás, L. C. ; Alonso, J. A. ; Iñiguez, M. P.

Springer

The European physical journal 302 (1981), S. 307-310

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Details

ISSN: 1434-601X

Quelle: Springer Online Journal Archives 1860-2000

Thema: Physik

Notizen: Abstract The atomic electronegativity, identified with the electronic chemical potential of the Energy Density Functional formalism has been studied by using an approximate functional containing gradient corrections. Only the valence electrons are taken into account and the effect of the ionic core is simulated by an empty core pseudopotential. The results are in close agreement with the experiments.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF01414261

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