Response function analysis of excited-state kinetic energy functional constructed by splitting k-space
Other Condensed Matter
2012-03-06 v1 Atomic and Molecular Clusters
Atomic Physics
Abstract
Over the past decade, fundamentals of time independent density functional theory for excited state have been established. However, construction of the corresponding energy functionals for excited states remains a challenging problem. We have developed a method for constructing functionals for excited states by splitting k-space according to the occupation of orbitals. In this paper we first show the accuracy of kinetic energy functional thus obtained. We then perform a response function analysis of the kinetic energy functional proposed by us and show why method of splitting the k-space could be the method of choice for construction of energy functionals for excited states.
Keywords
Cite
@article{arxiv.1103.5105,
title = {Response function analysis of excited-state kinetic energy functional constructed by splitting k-space},
author = {M. Hemanadhan and Manoj K. Harbola},
journal= {arXiv preprint arXiv:1103.5105},
year = {2012}
}
Comments
11 pages