Spectral Density and Metal-Insulator Phase Transition in Mott Insulators within Reduced Density Matrix Functional Theory
โ Scribed by Sharma, S.; Dewhurst, J. K.; Shallcross, S.; Gross, E. K. U.
- Book ID
- 120023432
- Publisher
- The American Physical Society
- Year
- 2013
- Tongue
- English
- Weight
- 284 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0031-9007
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๐ SIMILAR VOLUMES
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
## Abstract We present a comparison between the screened hybrid density functional theory of Heyd, Scuseria, and Enzerhof (HSE06) and highโresolution photoemission (PES) measurement on a single crystal of UO~2~. Angleโresolved photoemission data show a slight dispersion in the __f__โorbital derived