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.
- Received 4 December 2007
DOI:https://doi.org/10.1103/PhysRevLett.101.096404
©2008 American Physical Society