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arXiv · 2009.08304

Born-Oppenheimer approximation in optical cavities: from success to breakdown

Csaba Fábri·Gábor J. Halász·Lorenz S. Cederbaum·Ágnes Vibók
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Abstract

The coupling of a molecule and a cavity induces non-adiabaticity 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 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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Csaba Fábri, Gábor J. Halász, Lorenz S. Cederbaum, Ágnes Vibók. 2020-09-17. Born-Oppenheimer approximation in optical cavities: from success to breakdown. https://arxiv.org/abs/2009.08304

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