Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior
Materials Science
2016-08-31 v1
Abstract
We present an exact expression for the frequency-dependent Kohn-Sham exact-exchange (EXX) kernel for periodic insulators, which can be employed for the calculation of electronic response properties within time-dependent (TD) density-functional theory. It is shown that the EXX kernel has a long-wavelength divergence behavior of the exact full exchange-correlation kernel and thus rectifies one serious shortcoming of the adiabatic local-density approximation and generalized-gradient approximations kernels. A comparison between the TDEXX and the GW-approximation-Bethe-Salpeter-equation approach is also made.
Keywords
Cite
@article{arxiv.cond-mat/0205579,
title = {Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior},
author = {Yong-Hoon Kim and Andreas Goerling},
journal= {arXiv preprint arXiv:cond-mat/0205579},
year = {2016}
}
Comments
two column format 6 pages + 1 figure, to be publisehd in Physical Review B