CH4023 Quantum Chemistry
Perturbation theory. Eigenvalues to 2nd order and eigen functions to 1st order. Application: Ground state of the He atom, Start effect on (internal) rotation. n=2 state.
Quantum chemical theory of polymers: Block functions, Brillouin zones, energy bands in polyacetylene. Band gap and the Peierls instability. Density of states. Solitons and polarons in polyacetylene.
Lecture Notes:
- Matrix Forms (doc)
- Perturbation Theory (pdf, 390KB)
- Quantum Operators (pdf, 480KB)
- Molecular Inversion in Ammonia (pdf, 322KB)
| Go to Previous ... CH4022 | Go to Next ... CH4024 |