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Spin-Potential Functional Formalism for Current-Carrying Noncollinear Magnetic Systems

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 …

Authors

Heaton-Burgess T; Ayers P; Yang W

Volume

98

Publisher

American Physical Society (APS)

Publication Date

January 19, 2007

DOI

10.1103/physrevlett.98.036403

Conference proceedings

Physical Review Letters

Issue

3

ISSN

0031-9007