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    • Jacob Kongsted

    6 results in Authors: Jacob Kongsted

    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    Combining Polarizable Embedding with the Frenkel Exciton Model: Applications to Absorption Spectra with Overlapping Solute-Solvent Bands

    , Authors: Julie Stendevad, Jacob Kongsted, Casper Steinmann

    711
    Downloads
    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees

    , Authors: Maximilian Scheurer, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted

    353
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Nitrogen K-edge X-ray absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

    , Authors: Peter Reinholdt, Marta L. Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius

    224
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Polarizable Density Embedding for Large Biomolecular Systems

    , Authors: Peter Reinholdt, Frederik Kamper Jørgensen, Jacob Kongsted, Jógvan Magnus Haugaard Olsen

    603
    Downloads
    Category: Materials Science
    ,
    Working Paper
    , Title:

    Differential Molecular Interactions of Telmisartan: Molecular-Level Insights from Spectral and Computational Studies

    , Authors: Mahendra Singh, Jacob Kongsted, Peng Zhan, Uttam Chand Banerjee, Vasanthanathan Poongavanam, N. Arul Murugan

    60
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    CPPE: An Open-Source C++ and Python Library for Polarizable Embedding

    , Authors: Maximilian Scheurer, Peter Reinholdt, Erik Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted

    654
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    ChemRxiv logo ISSN 2573-2293 (Online)