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Time-dependent density-functional theory with a self-interaction correction
Authors:Messud J  Dinh P M  Reinhard P-G  Suraud E
Institution:Laboratoire de Physique Théorique, IRSAMC, CNRS, Université de Toulouse, F-31062 Toulouse, France.
Abstract:We discuss an implementation of the self-interaction correction for the local-density approximation to time-dependent density-functional theory. A variational formulation is given, taking care of the necessary constraints. A manageable and transparent propagation scheme using two sets of wave functions is proposed and applied to laser excitation with subsequent ionization of a dimer molecule.
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