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Signature of Attochemical Quantum Interference Upon Ionization and Excitation of an Electronic Wavepacket in Fluoro-benzene by Ferté, Anthony; Austin, Dane; Johnson, Allan S.; McGrath, Felicity; Malhado, João Pedro; Marangos, Jon P.; Vacher, Morgane is a scholarly article available to read on EtoBox.

What is Signature of Attochemical Quantum Interference Upon Ionization and Excitation of an Electronic Wavepacket in Fluoro-benzene about?

Ultrashort pulses can excite or ionize molecules and populate coherent electronic wavepackets, inducing complex dynamics. In this work, we simulate the coupled electron-nuclear dynamics upon ionization to different electronic wavepackets of (deuterated) benzene and fluoro-benzene molecules, quantum mechanically and in full dimensionality. In fluoro-benzene, the calculations unravel both inter-state and intra-state 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.

Author

Ferté, Anthony; Austin, Dane; Johnson, Allan S.; McGrath, Felicity; Malhado, João Pedro; Marangos, Jon P.; Vacher, Morgane

Published

2023

Language

EN