Projects (1)

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  • Local Coupled Cluster response for open-shell systems

    Schütz, Martin, Prof. Dr. (Theoretical Chemistry)

    Duration of Project: 02/2018 - 01/2021

    Financer: DFG: Sachbeihilfe

    The calculation of properties of electronically excited states of large molecules is of great importance for many applications in physics, chemistry, and biology. In the previous project we successfully implemented analytical nuclear energy gradients ...

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