Issue 4, 2021

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

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

Supplementary files

Article information

Article type
Edge Article
Submitted
18 9 2020
Accepted
12 11 2020
First published
13 11 2020
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2021,12, 1251-1258

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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