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Relativistic density functional calculations for Pt2
Authors:Anton J  Jacob T  Fricke B  Engel E
Affiliation:Universit?t Kassel, Fachbereich Physik, D-34109 Kassel, Germany.
Abstract:First full-relativistic density functional calculations with the extension of the spin-polarization functional for the relativistic density functional theory in their collinear and noncollinear form are presented here for the molecular system Pt2. The agreement with experiment is very good.
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