SKM 2023 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 80: Plasmonics and Nanooptics IV: Light-Matter Interaction and Spectroscopy III
O 80.7: Vortrag
Donnerstag, 30. März 2023, 16:45–17:00, CHE 89
Shortcut to Self-Consistent Light-Matter Interaction and Realistic Spectra from First Principles — •Christian Schäfer1,2 and Göran Johansson1 — 1Department of Microtechnology and Nanoscience, MC2, Chalmers University of Technology, 412 96 Göteborg, Sweden — 2Department of Physics, Chalmers University of Technology, 412 96 Göteborg, Sweden
Nanoplasmonic and optical cavity environments provide a novel handle to non-intrusively control materials and chemistry. We introduce here a simple approach to how an electromagnetic environment can be efficiently embedded into state-of-the-art electronic structure methods, taking the form of radiation-reaction forces [1]. We demonstrate that this self-consistently provides access to various optical effects and provides an efficient path to connect vastly different system scales [2]. As an example, we illustrate its seamless integration into time-dependent density-functional theory and its application to polaritonic chemistry with virtually no additional cost, presenting a convenient shortcut to self-consistent light-matter interactions.
[1] C. Schäfer and G. Johansson, PRL 128, 156402 (2022).
[2] C. Schäfer, J. Phys. Chem. Lett. 2022, 13, 6905-6911.