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jjgoings/README.md

Well, hello there.

Pinned

  1. VQE Public

    Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen

    Jupyter Notebook 7 3

  2. McMurchie-Davidson Public

    do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals

    Python 46 12

  3. chem_interp Public

    use interpretable machine learning to explain chemical reactions

    Python 1 1

  4. rlci Public

    reinforcement learning configuration interaction

    Python 3 2

  5. pade Public

    do the Fourier transform using the method of Padé approximants

    Python 13 3

  6. davidson Public

    davidson iterative diagonalizer

    Python 3

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July 2022

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