Exact exchange-correlation kernels for optical spectra of model systems
Other Condensed Matter
2019-04-10 v3 Chemical Physics
Abstract
For two prototype systems, we calculate the exact exchange-correlation kernels of time-dependent density functional theory. , the key quantity for optical absorption spectra of electronic systems, is normally subject to uncontrolled approximation. We find that, up to the first excitation energy, the exact has weak frequency-dependence and a simple, though non-local, spatial form. For higher excitations, the spatial behavior and frequency-dependence become more complex. The accuracy of the underlying exchange-correlation potential is of crucial importance.
Cite
@article{arxiv.1812.05512,
title = {Exact exchange-correlation kernels for optical spectra of model systems},
author = {Mike Entwistle and Rex Godby},
journal= {arXiv preprint arXiv:1812.05512},
year = {2019}
}
Comments
5 pages, 6 figures