Dissipative time dependent density functional theory
Quantum Physics
2015-06-25 v6 Chemical Physics
Abstract
The simplest density functional theory due to Thomas, Fermi, Dirac and Weizsacker is employed to describe the non-equilibrium thermodynamic evolution of an electron gas. The temperature effect is introduced via the Fermi-Dirac entropy, while the irreversible dynamics is described by a nonlinear diffusion equation. A dissipative Kohn-Sham equation is also proposed, which improves the Thomas-Fermi-Weizsacker kinetic functional.
Cite
@article{arxiv.0903.3644,
title = {Dissipative time dependent density functional theory},
author = {R. Tsekov},
journal= {arXiv preprint arXiv:0903.3644},
year = {2015}
}