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Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde

Nonadiabatic coupling is absent between the electronic ground X and first excited (singlet) A states of formaldehyde. As laser fields can induce conical intersections between these two electronic states, formaldehyde is particularly suitable for investigating light-induced nonadiabaticity in a polya...

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Hauptverfasser: Fábri, Csaba (VerfasserIn) , Halász, Gábor J. (VerfasserIn) , Cederbaum, Lorenz S. (VerfasserIn) , Vibók, Ágnes (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 24 March 2021
In: The journal of chemical physics
Year: 2021, Jahrgang: 154, Heft: 12, Pages: 1-13
ISSN:1089-7690
DOI:10.1063/5.0045069
Online-Zugang:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1063/5.0045069
Verlag, lizenzpflichtig, Volltext: https://aip.scitation.org/doi/10.1063/5.0045069
Volltext
Verfasserangaben:Csaba Fábri, Gábor J. Halász, Lorenz S. Cederbaum, and Ágnes Vibók

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520 |a Nonadiabatic coupling is absent between the electronic ground X and first excited (singlet) A states of formaldehyde. As laser fields can induce conical intersections between these two electronic states, formaldehyde is particularly suitable for investigating light-induced nonadiabaticity in a polyatomic molecule. The present work reports on the spectrum induced by light—the so-called field-dressed spectrum—probed by a weak laser pulse. A full-dimensional ab initio approach in the framework of Floquet-state representation is applied. The low-energy spectrum, which without the dressing field would correspond to an infrared vibrational spectrum in the X-state, and the high-energy spectrum, which without the dressing field would correspond to the X → A spectrum, are computed and analyzed. The spectra are shown to be highly sensitive to the frequency of the dressing light allowing one to isolate different nonadiabatic phenomena. 
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