Signature of attochemical quantum interference upon ionization and excitation of an electronic wavepacket in fluoro-benzene

• URL: http://arxiv.org/abs/2309.08269v3
• Date: Mon, 23 Sep 2024 14:49:31 GMT
• Title: Signature of attochemical quantum interference upon ionization and excitation of an electronic wavepacket in fluoro-benzene
• Authors: Anthony Ferté, Dane Austin, Allan S. Johnson, Felicity McGrath, João Pedro Malhado, Jon P. Marangos, Morgane Vacher,
• Abstract summary: We simulate the coupled electron-nuclear dynamics upon ionization to different electronic wavepackets of (deuterated) benzene and fluoro-benzene molecules. In fluoro-benzene, the calculations unravel both inter-state and intra-state quantum interferences that leave clear signatures of attochemistry and charge-directed dynamics.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: 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.

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