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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… Click to show full 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.
Keywords:
approximation optical;
born oppenheimer;
optical cavities;
cavities success;
oppenheimer approximation
Journal Title: Chemical Science
Year Published: 2020
Link to full text (if available)
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Journal Title: Chemical Science
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!