Adiabatic approximation within time-dependent density functional theory using inversion of the ground-state spin-density Kohn-Sham formalism

It has recently been shown by Thiele et al. [M. Thiele, E. K. U. Gross, S. Kummel, Phys. Rev. Lett. 100 (2008) 153004] that the exact adiabatic approximation in time-dependent density functional theory gives a good description of non-sequential double ionization in the one-dimensional helium atom. In this paper, we propose an adiabatic approximation based on the inversion of ground-state spin-density functional theory and apply it to several model systems. We demonstrate that our approach reproduces the derivative discontinuity and yields correlation potentials close to the exact correlation potentials for a strong-field ionization process as well as for the 1D H-2 and LiH molecules at large internuclear distance. (C) 2011 Elsevier B. V. All rights reserved.