2 datasets found

Keywords: MCTDH

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  • Cyclohexadiene and Butatriene MCTDH/vMCG/TSH

    The datasets contain the results from quantum dynamics simulations on cyclohexadiene and butatriene using both analytical potentials and direct dynamics. They were produced...

  • The "Simple" Photochemistry of Thiophene

    Data supporting the calculations in the paper. These include the input and operator files for the Quantics program to run ML- MCTDH simulations of the absorption spectrum of...
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