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jjgoings/README.md

Well, hello there.

Unsolicited advice: be the person to pronounce "meow" in "homeowner".

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  1. VQE VQE Public

    Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen

    Jupyter Notebook 15 4

  2. McMurchie-Davidson McMurchie-Davidson Public

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

    Python 79 17

  3. chem_interp chem_interp Public

    use interpretable machine learning to explain chemical reactions

    Python 12 3

  4. rlci rlci Public

    reinforcement learning configuration interaction

    Python 8 1

  5. pade pade Public

    do the Fourier transform using the method of Padé approximants

    Python 20 6

  6. davidson davidson Public

    davidson iterative diagonalizer

    Python 9