Exact-Exchange Spin-Current Density-Functional Theory

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.

4 pages, 3 figures

References in corpus (2)

• Arbitrary Choice of Basic Variables in Density Functional Theory. I. Formalism
• Arbitrary Choice of Basic Variables in Density Functional Theory. II. Illustrative Applications

Cited by in corpus (10)

• Quantum Theory of Orbital Magnetization and its Generalization to Interacting Systems
• Wannier-based calculation of the orbital magnetization in crystals
• Giant spin-orbit splitting of point defect states in monolayer WS${}_2$
• Dynamics of clusters and molecules in contact with an environment
• U(1)$\times$SU(2) Gauge Invariance Made Simple for Density Functional Approximations
• Transverse and longitudinal gradients of the spin magnetization in Spin-Density-Functional Theory
• Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory
• Optimized Effective Potential Method in Current-Spin Density Functional Theory
• Exchange-correlation orbital functionals in current-density-functional theory: Application to a quantum dot in magnetic fields
• Gauge-Invariant Formulation of Spin-Current-Density Functional Theory