New paper describing excited state methods in CP2K

Paper just published in the Journal of Chemical Theory and Computation with work by Sergey in collaboration with Juerg Hutter’s group at the University of Zurich. Online abstract here. Some really great work from Anna Hehn. Hopefully we’ll now see a lot of work on excited state properties – including relaxation for fluorescence shifts and wide variety of models of the electron / hole interaction.

Categories: Updates

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