ABSTRACT
The dynamics of systems containing a large number of degrees of freedom is one of the most important challenges in contemporary theoretical chemistry. Full quantum mechanical wave-packet propagations in several degrees of freedom is a numerically demanding task, for which specialized methods like the multiconfiguration timedependent Hartree (MCTDH) method [1,2] has proven to be a unique and particularly efficient tool. However, for processes like proton and electron transfer in isolated polyatomic molecules, liquids, interfaces and biological systems, intramolecular energy redistribution and unimolecular fragmentation, as well as interactions of atoms and molecules with surfaces [3], a full quantum treatment of all degrees of freedom is not feasible.
