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Born-Oppenheimer approximation in optical cavities: from success to breakdown
Csaba Fábri1,2, Gábor J Halász3, Lorenz S Cederbaum4
1Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös Loránd University Pázmány Péter sétány 1/A H-1117 Budapest Hungary ficsaba@caesar.elte.hu.
Abstract:
The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born-Oppenheimer approximation (BOA) may remedy the situation. It is demonstrated that contrary to expectation, BOA may even fail in a one-dimensional model and is generally expected to fail in two- or more-dimensional models due to the appearance of conical intersections induced by the cavity.
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