Bonn 2025 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 9: Poster – Novel Approaches
MO 9.3: Poster
Dienstag, 11. März 2025, 14:00–16:00, Tent
Generalized energy gap law: An open system dynamics approach to non-adiabatic phenomena in molecules — •Nico Bassler1,2, Michael Reitz3, Raphael Holzinger4, Agnes Vibók5,6, Gábor Halász7, Burak Gurlek8, and Claudiu Genes1,2 — 1Max Planck Institute for the Science of Light, D-91058 Erlangen, Germany — 2Department of Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), D-91058 Erlangen, Germany — 3Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA — 4Institut für Theoretische Physik, Universität Innsbruck, A-6020 Innsbruck, Austria — 5Department of Theoretical Physics, University of Debrecen, H-4002 Debrecen, Hungary — 6ELI-ALPS, ELI-HU Non-Profit Ltd, H-6720 Szeged, Hungary — 7Department of Information Technology, University of Debrecen, H-4002 Debrecen, Hungary — 8Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany
Non-adiabatic phenomena, resulting from the breakdown of the Born-Oppenheimer approximation, influence most photo-physical and photo-chemical processes, limiting molecular quantum efficiency. The energy gap law, established five decades ago, predicts non-radiative decay with an exponential dependence on the energy gap. Here, we revisit and extend this theory to incorporate vibrational relaxation, dephasing, and radiative loss with a focus on the structure of the nonadiabatic coupling.
Keywords: Open system physics; Nonadiabatic; Molecules; Energy gap law; Nonradiative effects