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arxiv: 0712.2306 · v2 · submitted 2007-12-14 · ❄️ cond-mat.other

Time-dependent density-functional theory with self-interaction correction

classification ❄️ cond-mat.other
keywords correctiondensity-functionalself-interactiontheorytime-dependentappliedcareconstraints
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We discuss an extension of time-dependent density-functional theory by a self-interaction correction (SIC). A strictly variational formulation is given taking care of the necessary constraints. A manageable and transparent propagation scheme using two sets of wavefunctions is proposed and applied to laser excitation with subsequent ionization of a dimer molecule.

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