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Dissipative Time Dependent Density Functional Theory

Name: Dissipative Time Dependent Density Functional Theory
Creator: Roumen Tsekov
Keywords: Chemical Physics (physics.chem-ph), Quantum Physics, Physics - Chemical Physics, 0103 physical sciences, FOS: Physical sciences, Quantum Physics (quant-ph), 01 natural sciences, 7. Clean energy

descriptionPublicationkeyboard_double_arrow_right Article , Preprint , Other literature type 02 Jun 2009Embargo end date: 01 Jan 2009Publisher:Springer Science and Business Media LLCJournal:International Journal of Theoretical Physics, volume 48, pages 2,660-2,664 (issn: 0020-7748, eissn: 1572-9575,

Authors: Roumen Tsekov;

doi: 10.1007/s10773-009-0054-6 , 10.48550/arxiv.0903.3644

arXiv: http://arxiv.org/abs/0903.3644

Dissipative Time Dependent Density Functional Theory

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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.

Related Organizations

RWTH Aachen University
Germany

Keywords

Chemical Physics (physics.chem-ph), Quantum Physics, Physics - Chemical Physics, FOS: Physical sciences, Quantum Physics (quant-ph)

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