Lecturer: Mathias Nest (2 SWS lecture or block lecture)

Content:
The lecture will start with a brief overview of the two fields underlying this highly active research area: First, methods used to solve the time-dependent Schroedinger equation will be introduced, such as the Split Operator and Runge-Kutta algorithms. Second, in order to be able to describe the electronic structure of an atom or molecule from first principles, the basics of Hartree-Fock (HF) and post-HF methods will be introduced. A combination of these two fields will then be used to describe recent progress in the manipulation of the electronic structure of atoms and molecules, e.g. by the creation of wave packets, ionization, or charge transfer. A special focus will be on the problem, to use the control of electronic structure to initiate and control chemical reactions. For this the fundamentals of coherent control theory will be introduced.