The Hartree-Fock procedure
Density Functional Theory
Basis sets for single molecule and periodic calculations
Geometry optimization techniques
Bloch's theorem, reciprocal space, k-points, density of states
Plane waves and the Brillouin zone
Stability of crystal phases
The content of the lecture will be treated in a practical course during the second half of the semester.
This module is offered in collaboration with Dr. Wilke Dononelli from the HMI group.