D'Agosta Roberto, Vignale Giovanni
Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA.
Phys Rev Lett. 2006 Jan 13;96(1):016405. doi: 10.1103/PhysRevLett.96.016405. Epub 2006 Jan 11.
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.
我们应用含时电流密度泛函理论来研究一个从非平衡初始态演化而来的封闭多电子系统的弛豫过程。我们表明，由交换关联矢量势产生的自洽幺正时间演化不可逆地将系统驱动至平衡态。我们还表明，在Kohn-Sham系统（即粒子和电流密度与所研究物理系统的粒子和电流密度一致的非相互作用系统）中耗散的能量与实际系统中的熵产生有关。
