| Literature DB >> 22519306 |
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.Year: 2012 PMID: 22519306 DOI: 10.1063/1.4704546
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488