Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra
Materials Science
2009-11-10 v1
Abstract
A robust and efficient frequency dependent and non-local exchange-correlation is derived by imposing time-dependent density-functional theory (TDDFT) to reproduce the many-body diagrammatic expansion of the Bethe-Salpeter polarization function. As an illustration, we compute the optical spectra of LiF, \sio and diamond and the finite momentum transfer energy-loss spectrum of LiF. The TDDFT results reproduce extremely well the excitonic effects embodied in the Bethe-Salpeter approach, both for strongly bound and resonant excitons. We provide a working expression for that is fast to evaluate and easy to implement.
Keywords
Cite
@article{arxiv.cond-mat/0310495,
title = {Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra},
author = {A. Marini and R. Del Sole and A. Rubio},
journal= {arXiv preprint arXiv:cond-mat/0310495},
year = {2009}
}
Comments
4 pages, 2 figures. To appear in Phys. Rev. Lett