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  Ground-State Quantum-Electrodynamical Density-Functional Theory

Ruggenthaler, M. (2017). Ground-State Quantum-Electrodynamical Density-Functional Theory.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-2339-7 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-46FC-4
Genre: Paper

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1509.01417.pdf (Preprint), 155KB
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2017
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https://arxiv.org/abs/1509.01417 (Preprint)
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 Creators:
Ruggenthaler, M.1, 2, Author              
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Institut für Theoretische Physik, Universität Innsbruck, ou_persistent22              

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 Abstract: In this work we establish a density-functional reformulation of coupled matter-photon problems subject to general external electromagnetic fields and charge currents. We first show that for static minimally-coupled matter-photon systems an external electromagnetic field is equivalent to an external charge current. We employ this to show that scalar external potentials and transversal external charge currents are in a one-to-one correspondence to the expectation values of the charge density and the vector-potential of the correlated matter-photon ground state. This allows to establish a Maxwell-Kohn-Sham approach, where in conjunction with the usual single-particle Kohn-Sham equations a classical Maxwell equation has to be solved. In the magnetic mean-field limit this reduces to a current-density-functional theory that does not suffer from non-uniqueness problems and if furthermore the magnetic field is zero recovers standard density-functional theory.

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Language(s): eng - English
 Dates: 2017-08-042015-09-042017-08-04
 Publication Status: Published online
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: No review
 Identifiers: arXiv: 1509.01417
 Degree: -

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