A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory
Materials Science
2007-05-23 v1
Abstract
A review of the approximations in any time-dependent density functional calculation of excitation energies is given. The single-pole approximation for the susceptibility is used to understand errors in popular approximations for the exchange-correlation kernel. A new hybrid of exact exchange and adiabatic local density approximation is proposed and tested on the He and Be atoms.
Keywords
Cite
@article{arxiv.cond-mat/0001153,
title = {A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory},
author = {Kieron Burke and Martin Petersilka and E. K. U. Gross},
journal= {arXiv preprint arXiv:cond-mat/0001153},
year = {2007}
}
Comments
seven two-column pages, including one figure, to appear in "Recent advances in density functional methods, Vol. III", ed. by P. Fantucci and A. Bencini (World scientific press, 2000). For related papers, see http://crab.rutgers.edu/~kieron