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- W4297263032 abstract "The present work focuses on probing ultrafast charge migration after symmetry-breaking excitation using ultrashort laser pulses. LiCN is chosen as prototypical system because it can be oriented in the laboratory frame and it possesses optically-accessible charge transfer states at low energies. The charge migration is simulated within the hybrid time-dependent density functional theory/configuration interaction framework. Time-resolved electronic current densities and simulated time-resolved x-ray diffraction signals are used to unravel the mechanism of charge migration. Our simulations demonstrate that specific choices of laser polarization lead to a control over the symmetry of the induced charge migration. Moreover, time-resolved x-ray diffraction signals are shown to encode transient symmetry reduction at intermediate times." @default.
- W4297263032 created "2022-09-28" @default.
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- W4297263032 date "2022-11-11" @default.
- W4297263032 modified "2023-10-16" @default.
- W4297263032 title "Probing Electronic Symmetry Reduction during Charge Migration via Time‐Resolved X‐Ray Diffraction" @default.
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- W4297263032 doi "https://doi.org/10.1002/cphc.202200463" @default.
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