We also develop computational methods and algorithms to support our research on photochemical/photobiological systems. We have contributions to several quantum chemistry packages with emphasis on multiconfigurational wavefunction methods. One example is a combination of the Minimum Energy Path (MEP) method with a surface hopping algorithm. This method enables studies of excited state reactivity involving weakly avoided crossings and conical intersections. The algorithm takes the decision whether the optimization should continue following the same electronic state or switch to a different state. This decisiojn is based on the analysis of the change in the multiconfigurational wave function This algorithm helps to overcome convergence difficulties near degeneracies. 

More information coming soon.