Signature of attochemical quantum interference upon ionization and
excitation of an electronic wavepacket in fluoro-benzene
- URL: http://arxiv.org/abs/2309.08269v2
- Date: Sun, 17 Dec 2023 22:42:41 GMT
- Title: Signature of attochemical quantum interference upon ionization and
excitation of an electronic wavepacket in fluoro-benzene
- Authors: Anthony Fert\'e, Dane Austin, Allan S. Johnson, Felicity McGrath,
Jo\~ao Pedro Malhado, Jon P. Marangos, and 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 reactivity in the shape of the autocorrelation function.
- 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 reactivity 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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