Controlling the photostability of molecules with optical cavities - the role of non-adiabatic dynamics and dissipation

MPSD Seminar

  • Datum: 15.04.2021
  • Uhrzeit: 15:00 - 16:00
  • Vortragender: Markus Kowalewski
  • Stockholm University
  • Ort: online via Zoom
  • Gastgeber: Michael Ruggenthaler
Theory development over the last years has shown that the dressed states form avoided crossings (AC) and conical intersections (CI) are similar to naturally occurring ACs and CIs. This opens up an interesting perspective of of how strong coupling of molecular to a light field can be viewed conceptually and implemented in numerical methods. However, this also raises questions about the interplay of non-adiabatic effects created by a cavity and the non-adiabatic dynamics already present in the field free molecule.

We present a theoretical study on the photo dissociation of a pyrrole molecule in a cavity. Pyrrole undergoes photo dissociation of the hydrogen via conical intersection. We investigate how this reaction can be influenced by vacuum fields and which terms in the Hamiltonian contribute to the modified reaction rates. In the second part we discuss the influence of cavity losses on the dissociation reaction in MgH+. Cavities typically used in polaritonic chemistry experiments have low q-factors and short photon lifetimes. However, this effect has been so far mostly neglected.
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