Dissipative Time Dependent Density Functional Theory |
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Authors: | Roumen Tsekov |
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Affiliation: | (1) DWI, RWTH, 52056 Aachen, Germany |
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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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Keywords: | Density functional theory Quantum dissipation Electron diffusion |
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