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Q: Fachverband Quantenoptik und Photonik
Q 7: Polaritonic Effects in Molecular Systems I (joint session MO/Q)
Q 7.2: Vortrag
Montag, 10. März 2025, 11:15–11:30, HS XV
Quantized embedding approaches for collective strong coupling – and what about Coulomb? — Frieder Lindel1,2, Dominik Lentrodt2, Stefan Buhmann3, and •Christian Schäfer4 — 1Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain — 2Physikalisches Institut, Albert-Ludwigs-Universität Freiburg, Hermann-Herder-Straße 3, D-79104 Freiburg, Germany — 3Institut für Physik, Universität Kassel, Heinrich-Plett-Straße 40, 34132 Kassel, Germany — 4Department of Physics, Chalmers University of Technology, 41296 Göteborg, Sweden
Collective light-matter interactions have been used to control chemistry and energy transfer, yet accessible approaches that combine ab initio methodology with large many-body quantum optical systems are missing due to the fast increase in computational cost for explicit simulations. We introduce such an accessible ab initio quantum embedding concept for many-body quantum optical systems that allows us to treat the collective coupling of molecular many-body systems effectively in the spirit of macroscopic quantum electrodynamics while keeping the rigor of ab initio quantum chemistry for the molecular structure [1]. We illustrate the underlying assumptions by comparison to the Tavis-Cummings model and highlight the importance of Coulombic interactions between emitter and solvent molecules, as well as their potential interplay in collective strong coupling [2].
[1] J. Chem. Phys. 161, 154111 (2024). [2] J. Phys. Chem. Lett. 2024, 15, 1428-1434.
Keywords: Quantized Embedding Approaches; Polaritonics; Collective Strong Coupling; Macroscopic QED; Solute-Solvent Interaction