Freiburg 2024 – scientific programme

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MO: Fachverband Molekülphysik

MO 20: Theoretical Molecular Physics

MO 20.3: Talk

Thursday, March 14, 2024, 15:00–15:15, HS 3042

The effects of dipole self energy in a molecular Tavis-Cummings model — •Lucas Borges, Markus Kowalewski, and Thomas Schnappinger — Department of Physics, Stockholm University, AlbaNova University Center, SE-106 91 Stockholm, Sweden

Theoretical studies in polariton photochemistry describe the molecular and photonic field interactions within the long-wavelength limit. The Pauli-Fierz Hamiltonian in the length gauge representation features a linear light-matter interaction term and a squared dipole self-energy (DSE) term, which assures a stable ground state for the total system. However, this representation blurs the distinction between photon and matter degrees of freedom. We performed nuclear wave functions dynamics from one to three MgH⁺ molecules interacting with a single photonic mode in an optical cavity at the electronic strong-coupling regime. We investigate how additional DSE terms in the interaction Hamiltonian affect the system by producing new inter-molecular energy transfer pathways.

Keywords: polaritonic; electronic strong coupling; strong light-matter interaction; polaritonic chemistry