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Exact-Exchange Spin-Current Density-Functional Theory

Stefan Rohra·Andreas Goerling
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Abstract

A spin-current density-functional theory (SCDFT) is introduced, which takes into account currents of the spin-density and thus currents of the magnetization in addition to the electron density, the non-collinear 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 illustration an oxygen atom in a magnetic field is treated with the new approach.

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Stefan Rohra, Andreas Goerling. 2006-04-24. Exact-Exchange Spin-Current Density-Functional Theory. https://doi.org/10.1103/physrevlett.97.013005

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