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Time-Dependent Density-Functional Theory with a Self-Interaction Correction
J. Messud, P.M. Dinh, P.-G. Reinhard, and E. Suraud
par - 29 août 2008
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.