Abstract
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. © 1999 John Wiley & Sons, Inc. J Comput Chem 20: 23–30, 1999
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