Theory of Chemical Bonding
General Information
Semester: Summer semester
Study program: Bachelor of Science Chemistry (4th semester, 3 CP)
Content
- Basics
- Qualitative MO theory
- Basis sets
- Hartree-Fock
- Geometry optimizations
- Post-Hartree-Fock methods
- Density functional theory
- Dynamic simulations
In the exercises, calculation and comprehension tasks are carried out on the topics of the lecture.