Basis Set Exchange

This project is a library containing basis sets for use in quantum chemistry calculations. In addition, this library has functionality for manipulation of basis set data.

The goal of this project is to create a consistent, thoroughly curated database of basis sets, and to provide a standard nomenclature for quantum chemistry.

• Website: https://www.basissetexchange.org
• Source code: https://github.com/MolSSI-BSE/basis_set_exchange