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