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  1. MP2 MP2 Public

    A lightweight Python tool for calculating MP2 correlation energies and generating potential energy surface (PES) plots for molecular systems. Ideal for educational or prototyping purposes.

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  2. qtic qtic Public

    Quantum Tic-Tac-Toe

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  3. Data-cavOTF Data-cavOTF Public

    Data used to produce figures for "On-the-Fly Cavity–Molecular Dynamics of Vibrational Polaritons"

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  4. polar_preview polar_preview Public

    Forked from zhcui/polar_preview

    Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.

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