Dr.rer.nat, Universitaet Heidelberg, 1997
Theoretical and Computational Chemistry
I am interested in chemical processes where a single electron plays the leading role: Electron capture, electron ejection, and electron transport. Areas of active research are capture of slow electrons through dipole-bound states, electron-induced bond cleavage, and electron trapping in water clusters. To study these processes computational methods are employed and developed. For small molecules quantum chemistry methods are used (so-called ab initio methods that aim at solving the Schroedinger equation); for larger water clusters a mixed approach is used that combines a classical force field for the water molecules with a Hamiltonian for the excess electron.