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  Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics

Schäfer, C., Flick, J., Appel, H., Pellegrini, C., & Rubio, A. (2015). Krieger-Li-Iafrate approximation to the optimized effective potential approach in density functional theory for quantum electrodynamics. Poster presented at Green's function methods: the next generation II, CECAM-HQ-EPFL, Lausanne, Switzerland.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-2AA3-0 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-2AA4-E
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poster_cecam-hq-epfl_lausanne_switzerland_30th_september_2015.pdf (Any fulltext), 819KB
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 Creators:
Schäfer, Christian1, 2, Author              
Flick, Johannes1, Author              
Appel, Heiko1, 2, Author              
Pellegrini, Camilla3, Author
Rubio, Angel1, 2, 3, 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              
3Nano-bio Spectroscopy Group and ETSF Scientific Development Centre, Departamento de Fisica de Materiales, Universidad del Pais Vasco UPV/EHU, E-20018 San Sebastian, Spain, ou_persistent22              

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 Abstract: Many-body perturbation theory (MBPT) opens the possibility to construct approximations to every desired order of a ’weak’ interacting system. The drawback is a in general non-local interaction in space and time and it is therefore a demanding task to apply it to ’real’ systems. The optimized effective potential (OEP), derived by inversion of the Sham-Schlüter equation, is a natural connection between local density-functional theory and MBPT. In principle, this variationally best local potential reduces the problem to solving a simple system of Kohn-Sham equations combined with the solution of the OEP integral equation. However, converging the full set of OEP equations is a quite challenging procedure and is in practice rarely tackled. The Krieger-Li-Iafrate (KLI) approximation reduces the integral equation to an analytically solvable one via a dominant orbital approximation. It performs usually quite well for electronic systems. In the present work, we extend the OEP and KLI approaches to the case of electron-photon interactions in quantum optics and quantum electrodynamics. Here an effective electronic interaction is transmitted via transversal photons. We present first static and time-dependent results for the OEP and KLI approximations of the Rabi model and compare with the exact configuration interaction solution and the corresponding exact Kohn-Sham potentials.

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Language(s): eng - English
 Dates: 2015-05
 Publication Status: Not specified
 Pages: 1
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 Rev. Method: No review
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Title: Green's function methods: the next generation II
Place of Event: CECAM-HQ-EPFL, Lausanne, Switzerland
Start-/End Date: 2015-05-04 - 2015-05-07

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