Perspective: Treating electron over-delocalization with the DFT+U method
Many people in the materials science and solid-state community are familiar with the acronym "DFT+U." For those less familiar, this technique uses ideas from model Hamiltonians that permit the description of both metals and insulators to address problems of electron over-delocalization in...
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| Format: | Article |
| Language: | English |
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American Institute of Physics (AIP),
2016-02-17T18:09:38Z.
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| Online Access: | Get fulltext |