Continuum states from time-dependent density functional theory

Details Continuum states from time-dependent density functional theory Continuum states from time-dependent density functional theory

2005-03-02

arxiv.org/abs/cond-mat/0503038v1

Physics

Condensed Matter

Other Condensed Matter

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

Scientific paper

10.1063/1.1877052

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.

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