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  Reduced Density-Matrix Approach to Strong Matter-Photon Interaction

Buchholz, F., Theophilou, I., Nielsen, S. E. B., Ruggenthaler, M., & Rubio, A. (2019). Reduced Density-Matrix Approach to Strong Matter-Photon Interaction. ACS Photonics, 6(11), 2694-2711. doi:10.1021/acsphotonics.9b00648.

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ph9b00648_si_001.pdf
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This is an open access article published under a Creative Commons Attribution (CC-BY)License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
OA-Status:
Keine Angabe
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Öffentlich
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2019
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© American Chemical Society

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externe Referenz:
https://dx.doi.org/10.1021/acsphotonics.9b00648 (Verlagsversion)
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https://arxiv.org/abs/1812.05562 (Preprint)
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 Urheber:
Buchholz, F.1, Autor           
Theophilou, I.1, Autor           
Nielsen, S. E. B.1, Autor           
Ruggenthaler, M.1, Autor           
Rubio, A.1, 2, Autor           
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Computational Quantum Physics (CCQ), Flatiron Institute, ou_persistent22              

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Schlagwörter: polaritonic chemistry; cavity quantum electrodynamics; electronic structure theory; reduced density matrix functional theory; quantum optics strong coupling
 Zusammenfassung: We present a first-principles approach to electronic many-body systems strongly coupled to cavity modes in terms of matter–photon one-body reduced density matrices. The theory is fundamentally nonperturbative and thus captures not only the effects of correlated electronic systems but accounts also for strong interactions between matter and photon degrees of freedom. We do so by introducing a higher-dimensional auxiliary system that maps the coupled fermion-boson system to a dressed fermionic problem. This reformulation allows us to overcome many fundamental challenges of density-matrix theory in the context of coupled fermion-boson systems and we can employ conventional reduced density-matrix functional theory developed for purely fermionic systems. We provide results for one-dimensional model systems in real space and show that simple density-matrix approximations are accurate from the weak to the deep-strong coupling regime. This justifies the application of our method to systems that are too complex for exact calculations and we present first results, which show that the influence of the photon field depends sensitively on the details of the electronic structure.

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Sprache(n): eng - English
 Datum: 2019-04-302019-09-052019-11-20
 Publikationsstatus: Erschienen
 Seiten: 18
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1021/acsphotonics.9b00648
arXiv: 1812.05562
 Art des Abschluß: -

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Projektname : F.B. would like to thank Nicole Helbig, Klaas Giesbertz, Micael Oliveira, and Christian Schäfer for stimulating and useful discussions. We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097).
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Quelle 1

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Titel: ACS Photonics
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Washington, DC : American Chemical Society
Seiten: - Band / Heft: 6 (11) Artikelnummer: - Start- / Endseite: 2694 - 2711 Identifikator: ISSN: 2330-4022
CoNE: https://pure.mpg.de/cone/journals/resource/2330-4022