This repository is intended to include utility-functions for quantum chemistry courses.
pip install git+https://github.com/QC-Edu/QChem-utils.git
from qctools.hydrogen import hydrogenic_wavefunction
hydrogenic_wavefunction(1, 0, 0, 1, 0, 0, 1)
Utility Methods for Quantum Chemistry Class
This repository is intended to include utility-functions for quantum chemistry courses.
pip install git+https://github.com/QC-Edu/QChem-utils.git
from qctools.hydrogen import hydrogenic_wavefunction
hydrogenic_wavefunction(1, 0, 0, 1, 0, 0, 1)
Utility Methods for Quantum Chemistry Class