Theoretical Evidence for Delocalized Inequivalent Core Holes

A phenomenon of partial localization of core holes has been discovered. Green's function calculations on a linear NiN2 cluster used as a model of the weak chemisorption N2/Ni(100)c(2×2) system show that the N1s core holes in the ionized states of the cluster are not fully localized on the inequ...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 1998-11, Vol.102 (47), p.9405-9409
Hauptverfasser:	Dobrodey, N. V, Cederbaum, L. S, Tarantelli, F
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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