Biplab Sanyal - School lectures: DFT: basics, applications, successes and failures
When: | We 12-07-2017 11:00 - 12:30 |
Where: | 5113.0201 |
Topics:
1. Importance of ab initio theory in the understanding of materials properties
2. Basics of DFT (Hohenberg-Kohn theorems, formulation of Kohn-Sham equations)
3. Approximations of exchange-correlation functionals (LDA, GGA)
4. Limitations of DFT and its standard approximations
5. Strong electron correlation: Self-interaction correction, DFT+U, Dynamical Mean Field Theory
6. Band-gap problem: hybrid DFT, GW approximations
7. van der Waals interactions
8. Applications of DFT