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  Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory

Pellegrini, C., Flick, J., Tokatly, I. V., Appel, H., & Rubio, A. (2015). Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters, 115(9): 093001. doi:10.1103/PhysRevLett.115.093001.

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PhysRevLett.115.093001.pdf (Verlagsversion), 261KB
 
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http://dx.doi.org/10.1103/PhysRevLett.115.093001 (Verlagsversion)
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http://arxiv.org/abs/1412.4530 (Preprint)
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 Urheber:
Pellegrini, Camilla1, Autor
Flick, Johannes2, Autor
Tokatly, Ilya V.1, 3, Autor
Appel, Heiko2, 4, Autor           
Rubio, Angel1, 2, 4, Autor           
Affiliations:
1Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Departamento de F, ou_persistent22              
2Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
3IKERBASQUE, Basque Foundation for Science, 48011 Bilbao, Spain, ou_persistent22              
4Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2074320              

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Schlagwörter: PACS numbers: 31.15.ee, 03.65.Yz, 42.50.Pq, 71.15.Mb
 Zusammenfassung: We propose an orbital exchange-correlation functional for applying time-dependent density functional theory to many-electron systems coupled to cavity photons. The time nonlocal equation for the electron-photon optimized effective potential (OEP) is derived. In the static limit our OEP energy functional reduces to the Lamb shift of the ground state energy. We test the new approximation in the Rabi model. It is shown that the OEP (i) reproduces quantitatively the exact ground-state energy from the weak to the deep strong coupling regime and (ii) accurately captures the dynamics entering the ultrastrong coupling regime. The present formalism opens the path to a first-principles description of correlated electron-photon systems, bridging the gap between electronic structure methods and quantum optics for real material applications.

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Sprache(n): eng - English
 Datum: 2015-05-252014-12-122015-08-242015-08-28
 Publikationsstatus: Erschienen
 Seiten: 5
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1103/PhysRevLett.115.093001
arXiv: 1412.4530
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Titel: Physical Review Letters
  Kurztitel : Phys. Rev. Lett.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Woodbury, N.Y. : American Physical Society
Seiten: - Band / Heft: 115 (9) Artikelnummer: 093001 Start- / Endseite: - Identifikator: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1