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  Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics

Schäfer, C., Ruggenthaler, M., Rokaj, V., & Rubio, A. (2020). Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics. ACS Photonics, 7(4), 975-990. doi:10.1021/acsphotonics.9b01649.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0005-E80C-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-3AAD-7
Genre: Journal Article

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acsphotonics.9b01649.pdf (Publisher version), 2MB
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acsphotonics.9b01649.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.
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2020
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© American Chemical Society

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https://arxiv.org/abs/1911.08427 (Preprint)
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 Creators:
Schäfer, C.1, 2, 3, Author              
Ruggenthaler, M.2, 3, Author
Rokaj, V.1, 2, 3, Author              
Rubio, A.2, 3, 4, Author
Affiliations:
1International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266714              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_persistent22              
3Center for Free-Electron Laser Science, ou_persistent22              
4Nano-Bio Spectroscopy Group, Departamento de Fisica de Materiales, Universidad del País Vasco, ou_persistent22              

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Free keywords: Cavities, Approximation, Mathematical methods, Polarization, Hamiltonians
 Abstract: Experiments at the interface of quantum optics and chemistry have revealed that strong coupling between light and matter can substantially modify the chemical and physical properties of molecules and solids. While the theoretical description of such situations is usually based on nonrelativistic quantum electrodynamics, which contains quadratic light–matter coupling terms, it is commonplace to disregard these terms and restrict the treatment to purely bilinear couplings. In this work, we clarify the physical origin and the substantial impact of the most common quadratic terms, the diamagnetic and self-polarization terms, and highlight why neglecting them can lead to rather unphysical results. Specifically, we demonstrate their relevance by showing that neglecting these terms leads to the loss of gauge invariance, basis set dependence, disintegration (loss of bound states) of any system in the basis set limit, unphysical radiation of the ground state, and an artificial dependence on the static dipole. Besides providing important guidance for modeling of strongly coupled light–matter systems, the presented results also indicate conditions under which those effects might become accessible.

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Language(s): eng - English
 Dates: 2019-11-202020-02-262020-04-15
 Publication Status: Published in print
 Pages: 16
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: arXiv: 1911.08427
DOI: 10.1021/acsphotonics.9b01649
 Degree: -

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Title: ACS Photonics
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: 16 Volume / Issue: 7 (4) Sequence Number: - Start / End Page: 975 - 990 Identifier: ISSN: 2330-4022
CoNE: https://pure.mpg.de/cone/journals/resource/2330-4022