BLUF Hydrogen network dynamics and UV/Vis spectra: A combined molecular dynamics and quantum chemical study. - Jan P. Götze; Claudio Greco 003; Roland Mitric; Vlasta Bonacic-Koutecký; Peter Saalfrank (J. Comput. Chem., 2012)

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B). - Alexander Humeniuk; Roland Mitric (Comput. Phys. Commun., 2017)

A block Jacobi method for complex skew-symmetric matrices with applications in the time-dependent variational principle. - Alexander Humeniuk; Roland Mitric (Comput. Phys. Commun., 2018)