Relativistic density functional calculations for Pt2 |
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Authors: | Anton J Jacob T Fricke B Engel E |
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Affiliation: | Universit?t Kassel, Fachbereich Physik, D-34109 Kassel, Germany. |
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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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