Improving first principles-based methods for correlated materials modeling
Since its inception, the widespread use of density functional theory (DFT) as a cost-effective tool for determining the electronic structure of matter has continued to grow in most scientific fields. However, the mean-field description offered by semi-local approximations to the exchangecorrelation...
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| Format: | Thesis |
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Massachusetts Institute of Technology
2022
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| Online Access: | https://hdl.handle.net/1721.1/143195 |