Quantum dynamical simulation of ultrafast molecular processes in the condensed phase

The recently proposed multi-layer extension of the multi-configuration time-dependent Hartree method is applied to study the quantum dynamics of ultrafast molecular processes in a condensed phase environment. In extension of our previous work, we consider reactions where anharmonicities of the intramolecular vibrational degrees of freedom or the nuclear degrees of freedom of the environment are important. As an example for the former we consider a model for a non-adiabatic photoisomerization reaction, the latter case is investigated for an electron transfer model coupled to an anharmonic bath.