Blar i Institutt for kjemi på tidsskrift "Journal of Physical Chemistry Letters"

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    • Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling 

      Riccardi, Enrico; Dahlen, Oda; van Erp, Titus Sebastiaan (Journal article; Peer reviewed, 2017)
      Many relevant processes in chemistry, physics, and biology are rare events from a computational perspective as they take place beyond the accessible time scale of molecular dynamics (MD). Examples are chemical reactions, ...

    • Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics 

      Kjønstad, Eirik Fadum; Koch, Henrik (Journal article; Peer reviewed, 2017)
      The motion of electrons and nuclei in photochemical events often involves conical intersections, or degeneracies between electronic states. They serve as funnels in nuclear relaxation processes where the electrons and ...