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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 (Publisher version), 261KB
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PhysRevLett.115.093001.pdf
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 Creators:
Pellegrini, Camilla1, Author
Flick, Johannes2, Author           
Tokatly, Ilya V.1, 3, Author
Appel, Heiko2, Author           
Rubio, Angel1, 2, 4, Author           
Affiliations:
1Departamento de Fisica de Materiales, Nano-bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del Pais Vasco UPV/EHU, E-20018 San Sebastian, Spain, 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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 Abstract: 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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Language(s): eng - English
 Dates: 2015-05-252014-12-122015-08-242015-08-24
 Publication Status: Issued
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevLett.115.093001
 Degree: -

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Project name : DYNAMO - Dynamical processes in open quantum systems: pushing the frontiers of theoretical spectroscopy
Grant ID : 267374
Funding program : Funding Programme 7 (FP7)
Funding organization : European Commission (EC)

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Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 115 (9) Sequence Number: 093001 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1