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Assessment and validation of a screened Coulomb hybrid density functional

✍ Scribed by Heyd, Jochen; Scuseria, Gustavo E.

Book ID
120563281
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
332 KB
Volume
120
Category
Article
ISSN
0021-9606

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Dispersion in the Mott insulator UO2: A
Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory
✍ Lindsay E. Roy; Tomasz Durakiewicz; Richard L. Martin; Juan E. Peralta; Gustavo 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 438 KB

## Abstract We present a comparison between the screened hybrid density functional theory of Heyd, Scuseria, and Enzerhof (HSE06) and high‐resolution photoemission (PES) measurement on a single crystal of UO~2~. Angle‐resolved photoemission data show a slight dispersion in the __f__‐orbital derived