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    psicode

    An open-source quantum chemistry program package

    PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.
    Downloads: 0 This Week
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    This is an extension to the standard 2D HF package (A Numerical Hartree-Fock Program for Diatomic Molecules by Jacek Kobus, Leif Laaksonen and Dage Sundholm) that adds some extra functionality.
    Downloads: 0 This Week
    Last Update:
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