Leading corrections to local approximations
Other Condensed Matter
2010-06-25 v2
Abstract
For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential. Turning points produce quantum oscillations leading to energy corrections, which are completely different from the gradient corrections that occur in bulk systems with slowly-varying densities. Approximations that include quantum corrections are typically much more accurate than their local analogs. The consequences for density functional theory are discussed.
Cite
@article{arxiv.1002.1351,
title = {Leading corrections to local approximations},
author = {Attila Cangi and Donghyung Lee and Peter Elliott and Kieron Burke},
journal= {arXiv preprint arXiv:1002.1351},
year = {2010}
}