| Screened hybrid functionals like HSE [1] are particularly well suited for calculations of solids because they are much faster than regular hybrids and can also be used in metals and systems with negligible band gaps. HSE yields an important improvement in band gap estimates compared to LDA, GGAs, and meta-GGAs. Applications to actinides, transition metal oxides, silicon phase transitions and defects, and other problems will be discussed. |
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