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