Born-Oppenheimer approximation in optical cavities: from success to breakdown.
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ABSTRACT:
SUBMITTER: Fabri C
PROVIDER: S-EPMC8179040 | biostudies-literature | 2020 Nov
REPOSITORIES: biostudies-literature
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Born-Oppenheimer approximation in optical cavities: from success to breakdown.
Fábri Csaba C Halász Gábor J GJ Cederbaum Lorenz S LS Vibók Ágnes Á
Chemical science 20201113 4
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 cav ...[more]
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