ThCh 514 Determination of reaction paths of chemical reactions. Calculation of electric and magnetic properties determined from linear and non-linear spectroscopy. Development of methods to describe electron correlation. Investigation of the accuracy of standard quantum chemical methods for the calculation of reaction energies and molecular properties (P. Jørgensen).
ThCh 515 Theory of molecular dynamics. Classical dynamics and quantum dynamics. Chemical reactions and kinetics. Photodissociation (O. Christiansen).
ThCh 516 Development and use of methods to describe and computate relativistic effects in molecules containing heavy atoms. Development of methods to describe electron correlation. Theory of artificial atoms and quantum dots (J. Olsen).