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QChem-utils

This repository is intended to include utility-functions for quantum chemistry courses.

Installation

pip install git+https://github.com/QC-Edu/QChem-utils.git

Usage

from qctools.hydrogen import hydrogenic_wavefunction

hydrogenic_wavefunction(1, 0, 0, 1, 0, 0, 1)

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Utility Methods for Quantum Chemistry Class

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