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Computational Chemistry

General Information

Semester: Summer semester

Study program: Master of Science Chemistry (Electoral, 6 CP)

Content

  1. Basics
  2. The Hartree-Fock procedure
  3. Basis sets
  4. Geometry optimization techniques
  5. Post-Hartree-Fock methods
  6. Density Functional Theory
  7. (Ab initio) Molecular Dynamics

 

The content of the lecture will be treated in a practical course during the second half of the semester.