Perspective on density functional theory
KBKieron Burke
University of California, Irvine
Indexed inarxivcrossrefpubmed
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.
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1,624
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Authors
1- KBKieron BurkeCorresponding
University of California, Irvine
Topics & keywords
Topics
Keywords
- Perspective (graphical)
- Density functional theory
- Variety (cybernetics)
- Field (mathematics)
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