Supporting datasets for "Hubbard physics with ultracold polar molecules:on-site interaction energies for shielded molecules", to be published in Physical Review Letters. 

The 'Script' directory contains two Python scripts. One generates the input files required for bound-state calculations using the BOUND package, while the other generates the input files required for scattering-length calculations using the MOLSCAT package. The current versions of MOLSCAT and BOUND are available at https://github.com/molscat/molscat (2025).

The 'Example_Input_Output' directory contains example input and output files for bound-state calculations using BOUND and for scattering-length calculations using MOLSCAT.  

In the directory 'Figure_Data_File', data files corresponding to all figures of the article are given in '.txt' format.
