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Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators

✍ Scribed by Liechtenstein, A. I.; Zaanen, J.

Book ID
111931122
Publisher
The American Physical Society
Year
1995
Tongue
English
Weight
260 KB
Volume
52
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES

Density-functional theory and strong int
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
✍ Liechtenstein, A. I.; Zaanen, J. πŸ“‚ Article πŸ“… 1995 πŸ› The American Physical Society 🌐 English βš– 260 KB

Evidence is presented that within the density-functional theory orbital polarization has to be treated on an equal footing with spin polarization and charge density for strongly interacting electron systems. Using a basis-set independent generalization of the LDA+U functional, we show that electroni

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 πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 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