Optical spectra of solids obtained by time-dependent density-functional theory with the jellium-with-gap model exchange-correlation kernel
Other Condensed Matter
2013-06-18 v1 Materials Science
Strongly Correlated Electrons
Abstract
Within the framework of ab initio time-dependent density-functional theory (TD-DFT), we propose a static approximation to the exchange-correlation kernel based on the jellium-with-gap model. This kernel accounts for electron-hole interactions and it is able to address both strongly bound excitons and weak excitonic effects. TD-DFT absorption spectra of several bulk materials (both semiconductor and insulators) are reproduced in very good agreement with the experiments and with a low computational cost.
Keywords
Cite
@article{arxiv.1210.7149,
title = {Optical spectra of solids obtained by time-dependent density-functional theory with the jellium-with-gap model exchange-correlation kernel},
author = {Paolo E. Trevisanutto and Aleksandrs Terentjevs and Lucian A. Constantin and Valerio Olevano and Fabio Della Sala},
journal= {arXiv preprint arXiv:1210.7149},
year = {2013}
}
Comments
5 pages, 3 figures, 1 table