Time-dependent density-functional theory with a self-interaction correction |
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Authors: | Messud J Dinh P M Reinhard P-G Suraud E |
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Institution: | Laboratoire de Physique Théorique, IRSAMC, CNRS, Université de Toulouse, F-31062 Toulouse, France. |
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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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