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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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Item Permalink: http://hdl.handle.net/21.11116/0000-0005-3E4D-1 Version Permalink: http://hdl.handle.net/21.11116/0000-0005-3E4E-0
Genre: Journal Article

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acsphotonics.9b00648.pdf (Publisher version), 4MB
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ph9b00648_si_001.pdf (Supplementary material), 499KB
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ph9b00648_si_001.pdf
Description:
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.
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
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2019
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© American Chemical Society

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https://arxiv.org/abs/1812.05562 (Preprint)
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 Creators:
Buchholz, F.1, Author              
Theophilou, I.1, Author              
Nielsen, S. E. B.1, Author              
Ruggenthaler, M.1, 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 Computational Quantum Physics (CCQ), Flatiron Institute, ou_persistent22              

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Free keywords: polaritonic chemistry; cavity quantum electrodynamics; electronic structure theory; reduced density matrix functional theory; quantum optics strong coupling
 Abstract: 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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Language(s): eng - English
 Dates: 2019-04-302019-09-052019-11-20
 Publication Status: Published in print
 Pages: 18
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1021/acsphotonics.9b00648
arXiv: 1812.05562
 Degree: -

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Project name : 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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Title: ACS Photonics
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 6 (11) Sequence Number: - Start / End Page: 2694 - 2711 Identifier: ISSN: 2330-4022
CoNE: https://pure.mpg.de/cone/journals/resource/2330-4022