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  Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

Flick, J., Ruggenthaler, M., Appel, H., & Rubio, A. (2015). Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space. Proceedings of the National Academy of Sciences of the United States of America, 112(50), 15285-15290. doi:10.1073/pnas.1518224112.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-20A0-2 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-0BC4-9
Genre: Journal Article

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1509.01069v1.pdf (Preprint), 5MB
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http://dx.doi.org/10.1073/pnas.1518224112 (Publisher version)
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http://arxiv.org/abs/1509.01069 (Preprint)
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 Creators:
Flick, Johannes1, Author              
Ruggenthaler, Michael2, 3, 4, Author              
Appel, Heiko1, 2, 3, Author              
Rubio, Angel1, 2, 3, 5, Author              
Affiliations:
1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
2Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2074320              
3Center for Free-Electron Laser Science & Department of Physics, Luruper Chaussee 149, 22761 Hamburg, Germany, ou_persistent22              
4Institut für Theoretische Physik, Universität Innsbruck, Technikerstraße 21A, A-6020 Innsbruck, Austria, ou_persistent22              
5Nano-Bio Spectroscopy Group and ETSF, Dpto. Fisica de Materiales, Universidad del País Vasco, 20018 San Sebastián, Spain, ou_persistent22              

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Free keywords: Quantum Physics; Condensed Matter; Materials Science; time-dependent density functional theory; strong light matter interaction; quantum electrodynamics; photon matter correlations; quantum electrodynamical density functional theory
 Abstract: The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron–photon interactions in terms of effective Kohn–Sham potentials. In this work, we numerically construct the exact electron–photon Kohn–Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light–matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account.

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Language(s): eng - English
 Dates: 2015-09-142015-12-012015-12-15
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1073/pnas.1518224112
arXiv: 1509.01069
 Degree: -

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Title: Proceedings of the National Academy of Sciences of the United States of America
  Other : Proc. Natl. Acad. Sci. USA
Source Genre: Journal
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Publ. Info: Washington, DC : National Academy of Sciences
Pages: - Volume / Issue: 112 (50) Sequence Number: - Start / End Page: 15285 - 15290 Identifier: ISSN: 0027-8424
CoNE: https://pure.mpg.de/cone/journals/resource/954925427230