Exact-exchange spin-current density-functional theory.
A spin-current density-functional theory (SCDFT) is introduced, which takes into account the currents of the spin density and thus currents of the magnetization in addition to the electron density, the noncollinear spin density, and the density current, which are considered in standard current-spin-density-functional theory. An exact-exchange Kohn-Sham formalism based on SCDFT is presented, which represents a general framework for the treatment of magnetic and spin properties. As an illustration, an oxygen atom in a magnetic field is treated with the new approach.
Rohra
Stefan
S
Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg, Egerlandstrasse 3, D-91058 Erlangen, Germany.
Görling
Andreas
A