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Electron correlation effects on the d-d excitations in NiO

✍ Scribed by C. de Grad; R. Broer; W.C. Nieuwpoort


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
738 KB
Volume
208
Category
Article
ISSN
0301-0104

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Electronic effects in the d-d spectrum o
✍ Empar Lorda; Francesc Illas; Paul S. Bagus πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 499 KB

The different contributions to the 10Dq electronic transition have been analyzed by using different kinds of ab initio cluster model wavefunctions. In particular, the orbital sets used provided a guide to the physical mechanisms involved. The analysis of the results shows that orbital relaxation eff