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On the calculation of final state free atom metal shifts of core levels

โœ Scribed by N.J. Castellani; D.B. Leroy


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
822 KB
Volume
59
Category
Article
ISSN
0368-2048

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๐Ÿ“œ SIMILAR VOLUMES


Final state effects for the core-level X
โœ Paul S. Bagus; Gianfranco Pacchioni; Fulvio Parmigiani ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 649 KB

Ionization of the Ni 3s core level in NiO has been studied using ab initio wavefunctions for an Ni06 cluster model. Three important fmal state effects are studied: (1) ligand to Ni 3d charge transfer, (2) exchange coupling of the ionized core level within the open 3d shell; and (3) atomic correlatio