On the Friedel sum rule in ab initio calculations of optical properties
Computational Physics
2013-11-11 v1
Abstract
We investigate the influence of technical parameters in dynamic electrical conductivity calculations by the Kubo-Greenwood formula on the value of the so-called sum rule. We propose a possible explanation of the slight overestimation of the sum rule in most of our results.
Keywords
Cite
@article{arxiv.1311.1925,
title = {On the Friedel sum rule in ab initio calculations of optical properties},
author = {D. V. Knyazev and P. R. Levashov},
journal= {arXiv preprint arXiv:1311.1925},
year = {2013}
}
Comments
Additional commentary to the paper D.V. Knyazev, P.R. Levashov, Comput. Mater. Sci. 79, 817-829 (2013), http://arxiv.org/abs/1310.4013