Berlin 2015 – scientific programme
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O: Fachverband Oberflächenphysik
O 56: Frontiers of Electronic Structure Theory: Many-Body Effects on the Nano-Scale IV
O 56.3: Talk
Wednesday, March 18, 2015, 15:45–16:00, MA 004
Correlated Light-Matter Interactions in Cavity QED — •Johannes Flick1, Camilla Pellegrini2, Michael Ruggenthaler3, Heiko Appel1,4, Ilya V. Tokatly1,5, and Angel Rubio1,2,4 — 1Fritz-Haber-Institut der MPG, Berlin — 2Nano-bio Spectroscopy Group/ETSF Scientific Development Centre, Universidad del Pais Vasco UPV/EHU, San Sebastian — 3Universität Innsbruck — 4MPI for the Structure and Dynamics of Matter, Hamburg — 5IKERBASQUE, Basque Foundation for Science, Bilbao
In the last decade, time-dependent density functional theory (TDDFT) has been successfully applied to a large variety of problems, such as calculations of absorption spectra, excitation energies, or dynamics in strong laser fields. Recently, we have generalized TDDFT to also describe electron-photon systems (QED-TDDFT) [1,2]. Here, matter and light are treated on an equal quantized footing.
In this work, we present the first numerical calculations in the framework of QED-TDDFT. We show exact solutions for fully quantized prototype systems consisting of atoms or molecules placed in optical high-Q cavities and coupled to quantized electromagnetic modes. We focus on the electron-photon xc-contribution by calculating exact Kohn-Sham potentials using fixed-point inversions and present the performance of the first approximated xc-potential based on an optimized effective potential (OEP) approach.
[1] I. Tokatly, Phys. Rev. Lett. 110, 233001 (2013).
[2] M. Ruggenthaler et.al., Phys. Rev. A 90, 012508 (2014).