Erlangen 2022 – scientific programme

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MO: Fachverband Molekülphysik

MO 6: Theory

MO 6.2: Talk

Tuesday, March 15, 2022, 10:45–11:00, MO-H7

A Shortcut to Self-Consistent Light-Matter Interaction and Realistic Spectra from First-Principles — •Christian Schäfer and Göran Johansson — Department of Microtechnology and Nanoscience, MC2, 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 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 radiative emission, natural linewidth, Lamb shifts, strong-coupling, electromagnetically induced transparency, Purcell-enhanced and superradiant emission. As an example, we illustrate its seamless integration into time-dependent density-functional theory with virtually no additional cost, presenting a convenient shortcut to light-matter interactions.

[1] C. Schäfer and G. Johansson, arXiv:2106.07507 (2021).