| Autor: |
Borges, Lucas, Schnappinger, Thomas, Kowalewski, Markus |
| Rok vydání: |
2024 |
| Předmět: |
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| Zdroj: |
J. Chem. Phys. 161, 044119 (2024) |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1063/5.0214362 |
| Popis: |
Strong coupling of organic molecules to the vacuum field of a nanoscale cavity can be used to modify their chemical and physical properties. We extend the Tavis-Cummings model for molecular ensembles and show that the often neglected interaction terms arising from the static dipole moment and the dipole self-energy are essential for a correct description of the light-matter interaction in polaritonic chemistry. On the basis of a full quantum description, we simulate the excited-state dynamics and spectroscopy of MgH$^+$ molecules resonantly coupled to an optical cavity. We show that the inclusion of static dipole moments and the dipole self-energy is necessary to obtain a consistent model. We construct an efficient two-level system approach that reproduces the main features of the real molecular system and may be used to simulate larger molecular ensembles. |
| Databáze: |
arXiv |
| Externí odkaz: |
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