Article,

Relaxation in Time-Dependent Current-Density-Functional Theory

, and .
Phys. Rev. Lett., 96 (1): 016405--4 (January 2006)

Abstract

We apply the time-dependent current-density-functional theory to the study of the relaxation of a closed many-electron system evolving from a nonequilibrium initial state. We show that the self-consistent unitary time evolution generated by the exchange-correlation vector potential irreversibly drives the system to equilibrium. We also show that the energy dissipated in the Kohn-Sham system, i.e., the noninteracting system whose particle and current densities coincide with those of the physical system under study, is related to the entropy production in the real system.

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