Exchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Functional Theory
Materials Science
2009-10-31 v2
Abstract
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to link different practical approaches to excited states, either based on density-functional theory, or on many-body perturbation theory, despite the approximations that have been performed to derive them.
Keywords
Cite
@article{arxiv.cond-mat/9905119,
title = {Exchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Functional Theory},
author = {X. Gonze and M. Scheffler},
journal= {arXiv preprint arXiv:cond-mat/9905119},
year = {2009}
}
Comments
Submitted to Phys. Rev. Lett. (February 4, 1999). Other related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.html