Vibronic Correlations in Molecular Strong-Field Dynamics.

Autor:	Labeye M; PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France., Lévêque C; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, 75005 Paris, France., Risoud F; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, 75005 Paris, France., Maquet A; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, 75005 Paris, France., Caillat J; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, 75005 Paris, France., Taïeb R; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, 75005 Paris, France.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry. A [J Phys Chem A] 2024 May 16; Vol. 128 (19), pp. 3764-3776. Date of Electronic Publication: 2024 Apr 08.
DOI:	10.1021/acs.jpca.3c07833
Abstrakt:	We investigate the ultrafast vibronic dynamics triggered by intense femtosecond infrared pulses in small molecules. Our study is based on numerical simulations performed with 2D model molecules and analyzed in the perspective of the renowned Lochfrass and bond-softening models. We give a new interpretation of the observed nuclear wave packet dynamics with a focus on the phase of the bond oscillations. Our simulations also reveal intricate features in the field-induced nuclear motion that are not accounted for by existing models. Our analyses assign these features to strong dynamical correlations between the active electron and the nuclei, which significantly depend on the carrier envelope phase of the pulse, even for relatively "long" pulses, which should make them experimentally observable.
Databáze:	MEDLINE
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