Local-density approximation for exchange energy functional in excited-state density functional theory
Materials Science
2007-05-23 v1
Abstract
An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the ground state. It takes care of the state dependence of the energy functional and leads to highly accurate excitation energies.
Cite
@article{arxiv.cond-mat/0602064,
title = {Local-density approximation for exchange energy functional in excited-state density functional theory},
author = {Prasanjit Samal and Manoj K. Harbola},
journal= {arXiv preprint arXiv:cond-mat/0602064},
year = {2007}
}