Continuum states from time-dependent density functional theory

Abstract

Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extract scattering amplitudes from the susceptibility are derived in one dimension. A single-pole approximation for scattering phase shifts in three dimensions is shown to be more accurate than static exchange for singlet electron-He${}^{+}$ scattering.

5 pages, 2 figures, J. Chem. Phys. accepted