Relativistic density functional calculations for Pt2.
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.
Anton
J
J
Universität Kassel, Fachbereich Physik, D-34109 Kassel, Germany.
Jacob
T
T
Fricke
B
B
Engel
E
E