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O: Fachverband Oberflächenphysik
O 87: Plasmonics and Nanooptics: Light-Matter Interaction, Spectroscopy I
O 87.2: Vortrag
Donnerstag, 20. März 2025, 15:15–15:30, H4
Beyond-dipole, self-consistent light-matter coupling in plasmonic cavities from first principles — •Franco Bonafe1, Carlos Bustamante1, Heiko Appel1, and Angel Rubio1,2 — 1MPI for Structure and Dynamics of Matter, Hamburg, Germany — 2Center for Computational Quantum Physics (CCQ), The Flatiron Institute, New York, USA
The theoretical treatment of light-matter coupling of molecules in complex electromagnetic (EM) environments is key for making progress in the area of modified matter properties in cavities and strong coupling. While several semiclassical methods can treat the coupling of molecules with EM environments, no method has yet considered the combined effects of self-consistent radiative coupling of molecule and environement, and beyond-electric-dipole interactions to account for the effects of inhomogeneous EM fields. This multiscale problem is now possible to address using our full minimal coupling Maxwell-TDDFT framework [1], implemented in the Octopus package. In this talk, we show how the effects of self-consistent light-matter coupling for different systems. On the one hand, we report the spectral Lamb-like shifts of plasmonic dimers described from first principles when radiation-reaction is considered. Moreover, we discuss the effects of transverse and longitudinal field inhomogeneity in the spectral properties of molecules in plasmonic environments described by a Drude response, including retardation effects. Finally, outlooks on self-consistent coupling of electrons, phonons and structured light are discussed. [1] F.P. Bonafé, A. Rubio, H. Appel et al. arXiv:2409.08959v2 (2024)
Keywords: plasmonics; ab initio; quantum dynamics; electrodynamics; cavities