Spin-potential functional formalism for current-carrying noncollinear magnetic systems

Phys Rev Lett. 2007 Jan 19;98(3):036403. doi: 10.1103/PhysRevLett.98.036403. Epub 2007 Jan 18.

Abstract

We develop a formalism dual to spin-current-density functional theory (CDFT) where minimization with respect to the scalar and vector spin potentials is used. In this way we circumvent the issues surrounding the nonuniqueness of the mapping between spin potentials and ground-state wave functions, and the v representability issue of current-density functionals. The approach applied within the Kohn-Sham formalism provides the foundations for the optimized effective potential method for CDFT.