Quantum light-induced nonadiabatic phenomena in the absorption spectrum of formaldehyde: Full- and reduced-dimensionality studies.
J Chem Phys
; 153(23): 234302, 2020 Dec 21.
Article
em En
| MEDLINE
| ID: mdl-33353310
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.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article