Perspective on density functional theory |
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Authors: | Burke Kieron |
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Affiliation: | Department of Chemistry, 1102 Natural Sciences 2, University of California, Irvine, California 92697, USA. |
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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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