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Dissipative Time Dependent Density Functional Theory

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Abstract

The simplest density functional theory due to Thomas, Fermi, Dirac and Weizsäcker 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 non-linear diffusion equation. A dissipative Kohn-Sham equation is also proposed, which improves the Thomas-Fermi-Weizsäcker kinetic functional.

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  1. DWI, RWTH, 52056, Aachen, Germany

    Roumen Tsekov

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  1. Roumen Tsekov
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Correspondence to Roumen Tsekov.

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Tsekov, R. Dissipative Time Dependent Density Functional Theory. Int J Theor Phys 48, 2660–2664 (2009). https://doi.org/10.1007/s10773-009-0054-6

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  • DOI: https://doi.org/10.1007/s10773-009-0054-6

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