Time-Dependent Density-Functional Theory with a Self-Interaction Correction

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.

Figure 1

Time evolution of the number of emitted electrons for a dimer molecule with two electrons: results from full TDHF, TDLDA, and TDSIC.