51 citations · 75 across the 3 of their papers we have counts for
3 papers
An All-DFTB Approach to the Parametrization of the System-Bath Hamiltonian Describing Exciton-Vibrational Dynamics of Molecular Assemblies
Per-Arno Plötz, Jörg Megow, Thomas Niehaus +1
Spectral density functions are central to the simulation of complex many body systems. Their determination requires to make approximations not only to the dynamics but also to the…
Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates
Jörg Megow, Merle I. S. Röhr, Marcel Schmidt am Busch +5
The simulation of the optical properties of supramolecular aggregates requires the development of methods, which are able to treat a large number of coupled chromophores interactin…
Calculating optical absorption spectra of thin polycrystalline films: Structural disorder and site-dependent van der Waals interaction
Jörg Megow, Thomas Körzdörfer, Thomas Renger +4
We propose a new approach for calculating the change of the absorption spectrum of a molecule when moved from the gas phase to a crystalline morphology. The so-called gas-to-crysta…