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  Exact functionals for correlated electron-photon systems

Dimitrov, T., Flick, J., Ruggenthaler, M., & Rubio, A. (2017). Exact functionals for correlated electron-photon systems. New Journal of Physics, 19: 113036. doi:10.1088/1367-2630/aa8f09.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-758F-B Version Permalink: http://hdl.handle.net/21.11116/0000-0004-AA85-6
Genre: Journal Article

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Dimitrov_2017_New_J._Phys._19_113036.pdf (Publisher version), 4MB
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Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.

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https://dx.doi.org/10.1088/1367-2630/aa8f09 (Publisher version)
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 Creators:
Dimitrov, T.1, 2, Author              
Flick, J.1, 2, Author              
Ruggenthaler, M.1, 2, Author              
Rubio, A.1, 2, Author              
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Free-Electron Laser Science Department of Physics, ou_persistent22              

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Free keywords: DFT, QEDFT, density-functional theory, quantum electrodynamics, exact maps, intrasystem steepening, mean-field approximation
 Abstract: For certain correlated electron-photon systems we construct the exact density-to-potential maps, which are the basic ingredients of a density-functional reformulation of coupled matter-photon problems. We do so for numerically exactly solvable models consisting of up to four fermionic sites coupled to a single photon mode. We show that the recently introduced concept of the intra-system steepening (Dimitrov et al 2016 New J. Phys. 18 083004) can be generalized to coupled fermion-boson systems and that the intra-system steepening indicates strong exchange-correlation effects due to the coupling between electrons and photons. The reliability of the mean-field approximation to the electron-photon interaction is investigated and its failure in the strong coupling regime analyzed. We highlight how the intra-system steepening of the exact density-to-potential maps becomes apparent also in observables such as the photon number or the polarizability of the electronic subsystem. We finally show that a change in functional variables can make these observables behave more smoothly and exemplify that the density-to-potential maps can give us physical insights into the behavior of coupled electron-photon systems by identifying a very large polarizability due to ultra-strong electron-photon coupling.

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Language(s): eng - English
 Dates: 2017-09-052017-06-272017-09-262017-11-23
 Publication Status: Published online
 Pages: -
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1088/1367-2630/aa8f09
 Degree: -

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Project name : We thank Heiko Appel and Søren E B Nielsen for very fruitful discussions and acknowledge financial support from the European Research Council(ERC-2015-AdG-694097), and the European Union’s H2020 program under GA no.676580 (NOMAD).
Grant ID : 676580
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: New Journal of Physics
  Abbreviation : New J. Phys.
Source Genre: Journal
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Publ. Info: Bristol : IOP Publishing
Pages: - Volume / Issue: 19 Sequence Number: 113036 Start / End Page: - Identifier: ISSN: 1367-2630
CoNE: /journals/resource/954926913666