Perspective on density functional theory
Chemical Physics
2015-06-03 v1 Other Condensed Matter
Abstract
Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches of chemistry and materials science. Electronic structure problems in a dazzling variety of fields are currently being tackled. However, DFT has many limitations in its present form: Too many approximations, failures for strongly correlated systems, too slow for liquids, etc. This perspective reviews some recent progress and ongoing challenges.
Cite
@article{arxiv.1201.3679,
title = {Perspective on density functional theory},
author = {Kieron Burke},
journal= {arXiv preprint arXiv:1201.3679},
year = {2015}
}
Comments
submitted to J. Chem. Phys