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DFT+U and DFT+U+V: Basic Concepts and Applications - Lecture 3.1
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- 1 Intro
- 2 Density Functional Theory
- 3 Case study: cathode materials of Li batterie
- 4 Band vs localized pictures: the Hubbard mode
- 5 How does the +U correction work?
- 6 Theoretical framework
- 7 Fractional occupations
- 8 DFT+U and the linearization of energy
- 9 Symmetry breaking and localization
- 10 Take home messages
- 11 Postdoc positions
