Born-Oppenheimer approximation in optical cavities

• Verfasst von: Fábri, Csaba [VerfasserIn]
• Verfasst von: Halász, Gábor J. [VerfasserIn]
• Verfasst von: Cederbaum, Lorenz S. [VerfasserIn]
• Verfasst von: Vibók, Ágnes [VerfasserIn]
• Titel: Born-Oppenheimer approximation in optical cavities
• Titelzusatz: from success to breakdown
• Verf.angabe: Csaba Fábri, Gábor J. Halász, Lorenz S. Cederbaum and Ágnes Vibók
• Jahr: 2021
• Jahr des Originals: 2020
• Umfang: 8 S.
• Teil: volume:12
• Teil: year:2021
• Teil: number:4
• Teil: pages:1251-1258
• Teil: extent:8
• Fussnoten: First published 13 Nov 2020 ; Gesehen am 08.04.2021
• Titel Quelle: Enthalten in: Chemical science
• Ort Quelle: Cambridge : RSC, 2010
• Jahr Quelle: 2021
• Band/Heft Quelle: 12(2021), 4, Seite 1251-1258
• ISSN Quelle: 2041-6539
• DOI: doi:10.1039/D0SC05164K
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1753265703

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.