PyScat is a small Python project designed for simulating quantum collisions between atoms and molecules. It contains implementations of the log-derivative and the renormalized Numerov method for solving the coupled-channels equations.
PyScat is not designed for large-scale scattering simulations but is ideal for quickly setting up single-channel or small multi-channel calculations. I have written this code to explore the numerical aspects of quantum scattering theory and to benchmark simulations performed with other programs. It may also serve as an educational tool or assist in preparing larger scattering simulations.
An example for elastic scattering at a square well is provided in the notebook
example_spherical_well.ipynb.
If you encounter any problems, feel free to contact me or open an issue. I am happy to assist if you are interested in using PyScat.
Contributions are always welcome!