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arxiv: 0903.3644 · v6 · pith:XAZDQTGEnew · submitted 2009-03-23 · 🪐 quant-ph · physics.chem-ph

Dissipative time dependent density functional theory

classification 🪐 quant-ph physics.chem-ph
keywords functionaldensitydissipativeequationtheorydependentdescribedescribed
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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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