Article Dans Une Revue Physical Review Letters Année : 2024

Signature of Attochemical Quantum Interference upon Ionization and Excitation of an Electronic Wave Packet in Fluorobenzene

Résumé

Ultrashort pulses can excite or ionize molecules and populate coherent electronic wave packets, inducing complex dynamics. In this Letter, we simulate the coupled electron-nuclear dynamics upon ionization to different electronic wave packets of (deuterated) benzene and fluoro-benzene molecules, quantum mechanically and in full dimensionality. In fluoro-benzene, the calculations unravel both interstate and intrastate quantum interferences that leave clear signatures of attochemistry and charge-directed dynamics in the shape of the autocorrelation function. The latter are in agreement with experimental high-harmonic spectroscopy measurements of benzenes and fluoro-benzene. Published by the American Physical Society 2024

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hal-04892444 , version 1 (16-01-2025)

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Anthony Ferté, Dane Austin, Allan S Johnson, Felicity Mcgrath, João Pedro Malhado, et al.. Signature of Attochemical Quantum Interference upon Ionization and Excitation of an Electronic Wave Packet in Fluorobenzene. Physical Review Letters, 2024, 133 (20), pp.203201. ⟨10.1103/physrevlett.133.203201⟩. ⟨hal-04892444⟩
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