PHYSICS 250.2: Computational Band Theory
Fall 1998
Homework
- Integration of a singular function
- 1D example: simple pole
- 3D: tetrahedron integration
- Loewdin perturbation theory
- Improved eigenvalues
- Extended eigenvectors
- Slater-Koster TB parametrization
- Identifying neighbors
- Calculating trigonometric factors
- Diagonalization
- Folding down to a reduced basis set
- Symmetry