Continuum states from time-dependent density functional theory
Other Condensed Matter
2009-11-11 v1
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.
Cite
@article{arxiv.cond-mat/0503038,
title = {Continuum states from time-dependent density functional theory},
author = {Adam Wasserman and Neepa T. Maitra and Kieron Burke},
journal= {arXiv preprint arXiv:cond-mat/0503038},
year = {2009}
}
Comments
5 pages, 2 figures, J. Chem. Phys. accepted