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Issue 4, 2021
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Born–Oppenheimer approximation in optical cavities: from success to breakdown

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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.

Graphical abstract: Born–Oppenheimer approximation in optical cavities: from success to breakdown

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Article information


Submitted
18 Sep 2020
Accepted
12 Nov 2020
First published
13 Nov 2020

This article is Open Access
All publication charges for this article have been paid for by the Royal Society of Chemistry

Chem. Sci., 2021,12, 1251-1258
Article type
Edge Article

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

C. Fábri, G. J. Halász, L. S. Cederbaum and Á. Vibók, Chem. Sci., 2021, 12, 1251
DOI: 10.1039/D0SC05164K

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