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arXiv · 0903.3644

Dissipative time dependent density functional theory

R. Tsekov
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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.

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R. Tsekov. 2015-06-24. Dissipative time dependent density functional theory. https://doi.org/10.1007/s10773-009-0054-6

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