Time-dependent Density Functional calculation of e-H scattering

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.

5 pages, 4 figures, 1 table

References in corpus (1)

• Time-dependent density functional theory: Past, present, and future