Time-dependent density-functional theory with self-interaction correction

Details Time-dependent density-functional theory with self-interaction correction Time-dependent density-functional theory with self-interaction correction

2007-12-14

arxiv.org/abs/0712.2306v2

Phys. Rev. Lett. 101 (2008) 096404

Physics

Condensed Matter

Other Condensed Matter

4 pages, 1 figure

Scientific paper

10.1103/PhysRevLett.101.096404

We discuss an extension of time-dependent density-functional theory by a
self-interaction correction (SIC). A strictly variational formulation is given
taking care of the necessary constraints. A manageable and transparent
propagation scheme using two sets of wavefunctions is proposed and applied to
laser excitation with subsequent ionization of a dimer molecule.

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