Computational Chemistry
General Information
Semester: Summer semester
Study program: Master of Science Chemistry (Electoral, 6 CP)
Content
- Basics
- The Hartree-Fock procedure
- Basis sets
- Geometry optimization techniques
- Post-Hartree-Fock methods
- Density Functional Theory
- (Ab initio) Molecular Dynamics
The content of the lecture will be treated in a practical course during the second half of the semester.