Computer exercises

The course comprises five computer exercises:

• Orbitals and one-particle densities

• Fock matrices and SCF procedure

• Dissociation of covalent bonds

• Group theory and spatial symmetries of wave functions

• Two-particle densities and electron correlation

Exercises are to be solved with use of the VeloxChem software. Template notebooks are provided for all exercises and you are to complete the notebooks as to find the answers to the questions in the exercises.

Examination

Completed notebooks serve as reports and are to be handed in for examination on, or before, the due date.