Dissertation presented Uppsala University to be publicly examined in 2446, Polacksbacken, Lägerhyddsvägen 2, Uppsala, Friday, October 19, 2012 at 10:00 for degree of Doctor of Philosophy. The examination will be conducted in English. Abstract: Kormann, K, 2012, Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 970, 52 pp. Uppsla, ISBN 978-91-554-8466-8. The time-dependent Schrödinger equation (TDSE) models the quantum nature of molecular processes.  Numerical simulations based on the TDSE help in understanding and predicting the…