Hans-Dieter Meyer

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[** ] The authors thank Prof. J. Bowman for providing the potential-energy routine, D. Lauvergnat for performing the TNUM calculations and the Scientific Supercomputing Center Karlsruhe for generously providing computer time. O. V. is grateful to the Alexander von Hum-boldt Foundation for financial support. Accurate infrared (IR) spectroscopy of protonated(More)
A time-dependent approach for the kinetic energy release (KER) spectrum is developed for a fragmentation of a diatomic molecule after an electronic decay process, e.g., Auger process. It allows one to simulate the time-resolved spectra and provides more insight into the molecular dynamics than the time-independent approach. Detailed analysis of the(More)
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is discussed and a fully general implementation for any number of layers based on the recursive ML-MCTDH algorithm given by Manthe [J. Chem. Phys. 128, 164116 (2008)] is presented. The method is applied first to a generalized Henon-Heiles (HH) hamiltonian. For 6D HH the overhead of(More)
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