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Relativistic density functional approach to open shells

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