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.
Messud
J
J
Laboratoire de Physique Théorique, IRSAMC, CNRS, Université de Toulouse, F-31062 Toulouse, France.
Dinh
P M
PM
Reinhard
P-G
PG
Suraud
E
E