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Relativistic density functional approach to open shells

✍ Scribed by Eschrig, H.; Servedio, V. D. P.

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
231 KB
Volume
20
Category
Article
ISSN
0192-8651

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✦ Synopsis

A full application of relativistic spin-density functional theory in noncollinear treatment of the exchange and correlation field is given to open-shell atoms and ions of the carbon group. It is shown that the influence of noncollinearity is small as compared with self-interaction corrections. Unfortunately, the defect of the local spin-density approximation not to yield a source-free exchange and correlation field increases in noncollinear treatment.

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