Solving the ultranonlocality problem in time-dependent spin-density-functional theory.
It has been known for some time that the exchange-correlation potential in time-dependent density-functional theory is an intrinsically nonlocal functional of the density as soon as one goes beyond the adiabatic approximation. In this paper we show that a much more severe nonlocality problem, with a completely different physical origin, plagues the exchange-correlation potentials in time-dependent spin-density functional theory. We show how the use of the spin current density as a basic variable solves this problem, and we provide an explicit local expression for the exchange-correlation fields as functionals of the spin currents.
Qian
Z
Z
Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA.
Constantinescu
A
A
Vignale
G
G