Quantcast

Continuum states from time-dependent density functional theory.

Research paper by Adam A Wasserman, Neepa T NT Maitra, Kieron K Burke

Indexed on: 26 Apr '05Published on: 26 Apr '05Published in: The Journal of chemical physics



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.