Time-dependent density functional calculation of e-H scattering

Phys Rev Lett. 2007 Jul 27;99(4):043005. doi: 10.1103/PhysRevLett.99.043005. Epub 2007 Jul 26.

Abstract

Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H- ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact exchange yields an excellent approximation to the ground-state Kohn-Sham potential, while the adiabatic local density approximation yields good singlet and triplet phase shifts.