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Theory for the 2p-shell sxaps for the 3d-transition metals

✍ Scribed by K. Nuroh; G. Wendin


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
432 KB
Volume
31
Category
Article
ISSN
0038-1098

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## Abstract Holthausen has recently provided a comprehensive study of density functional theory for calculating the s/d excitation energies of the 3d transition metal cations. This study did not include the effects of scalar relativistic effects, and we show here that the inclusion of scalar relati