Quantum light-induced nonadiabatic phenomena in the absorption spectrum of formaldehyde

• Verfasst von: Fábri, Csaba [VerfasserIn]
• Verfasst von: Lasorne, Benjamin [VerfasserIn]
• Verfasst von: Halász, Gábor J. [VerfasserIn]
• Verfasst von: Cederbaum, Lorenz S. [VerfasserIn]
• Verfasst von: Vibók, Ágnes [VerfasserIn]
• Titel: Quantum light-induced nonadiabatic phenomena in the absorption spectrum of formaldehyde
• Titelzusatz: full- and reduced-dimensionality studies
• Verf.angabe: Csaba Fábri, Benjamin Lasorne, Gábor J. Halász, Lorenz S. Cederbaum and Ágnes Vibók
• E-Jahr: 2020
• Jahr: 17 December 2020
• Umfang: 12 S.
• Fussnoten: Gesehen am 11.02.2021
• Titel Quelle: Enthalten in: The journal of chemical physics
• Ort Quelle: Melville, NY : American Institute of Physics, 1933
• Jahr Quelle: 2020
• Band/Heft Quelle: 153(2020,23) Artikel-Nummer 234302, 12 Seiten
• ISSN Quelle: 1089-7690
• DOI: doi:10.1063/5.0035870
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1748076183

Abstract

The coupling of a molecule to a cavity can induce conical intersections of the arising polaritonic potential energy surfaces. Such intersections give rise to the strongest possible nonadiabatic effects. By choosing an example that does not possess nonadiabatic effects in the absence of the cavity, we can study, for the first time, the emergence of these effects in a polyatomic molecule due to its coupling with the cavity taking into account all vibrational degrees of freedom. The results are compared with those of reduced-dimensionality models, and the shortcomings and merits of the latter are analyzed.