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

Abstract

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.

4 pages, 1 figure

References in corpus (4)

• A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation
• Real-time electron dynamics with exact-exchange time-dependent density-functional theory
• Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation
• Boost-invariant mean field approximation and the nuclear Landau-Zener effect

Cited by in corpus (13)

• Importance of complex orbitals in calculating the self-interaction-corrected ground state of atoms
• A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction
• Electrons as probes of dynamics in molecules and clusters : a contribution from Time Dependent Density Functional Theory
• Dynamics of clusters and molecules in contact with an environment
• Koopmans' condition in self-interaction corrected density functional theory
• Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions
• Microscopic Composition of Ion-Ion Interaction Potentials
• Local self-interaction correction method with a simple scaling factor
• TDDFT+$U$: Hubbard corrected approximate density-functional theory in the excited-state regime
• Polarizibilities as a test of localized approximations to the self-interaction correction
• The Generalized SIC-OEP formalism and the Generalized SIC-Slater approximation (stationary and time-dependent cases)
• Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals
• Self-interaction correction in a simple model