Relaxation in time-dependent current-density functional theory

TL;DR

This paper demonstrates how time-dependent current-density functional theory describes the irreversible relaxation of a many-electron system to equilibrium, linking energy dissipation to entropy production.

Contribution

It shows that the exchange-correlation vector potential induces irreversible relaxation and relates energy dissipation in the Kohn-Sham system to entropy production.

Findings

System evolves irreversibly to equilibrium

Energy dissipation relates to entropy production

Self-consistent evolution drives relaxation

Abstract

We apply the time-dependent current-density functional theory to the study of the relaxation of a closed many-electron system evolving from an non-equilibrium initial state. We show that the self-consistent unitary time evolution generated by the time dependent exchange-correlation vector potential irreversibly drives the system to equilibrium. We also show that the energy dissipated in the Kohn-Sham system is related to the entropy production in the real system.