Time-dependent Density Functional calculation of e-H scattering
Materials Science
2009-11-13 v2
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.
Cite
@article{arxiv.0704.2790,
title = {Time-dependent Density Functional calculation of e-H scattering},
author = {Meta van Faassen and Adam Wasserman and Eberhard Engel and Fan Zhang and Kieron Burke},
journal= {arXiv preprint arXiv:0704.2790},
year = {2009}
}