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arxiv: 1502.05613 · v1 · pith:MKN337WFnew · submitted 2015-02-19 · ⚛️ physics.chem-ph · physics.atm-clus· quant-ph

Control of charge migration in molecules by ultrashort laser pulses

classification ⚛️ physics.chem-ph physics.atm-clusquant-ph
keywords chargecontrolmigrationdynamicslasermoleculepulsessystem
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Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme for control of the charge migration dynamics with a single ultrashort laser pulse. We demonstrate by fully ab initio calculations on a molecule containing a chromophore and an amine moieties that simple pulses can be used for stopping the charge-migration oscillations and localizing the charge on the desired site of the system. We argue that this control may be used to predetermine the follow-up nuclear rearrangement and thus the molecular reactivity.

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