Basis Set Exchange - REST API Documentation

This documentation is for accessing the Basis Set Exchange via the public REST API. For the web interface, visit https://www.basissetexchange.org

The repository of this documentation, including examples, is available at https://github.com/MolSSI-BSE/basis_set_exchange-apidoc

NOTE: The public API is currently in beta testing. I am not planning on changing api endpoints, but cannot guarantee it at the moment.

If you are interested in heavy use of the public API, then feel free to contact me.

Contents:

• REST API Reference
  • Note about headers
  • Specifying Elements
  • /api/metadata
  • /api/formats
  • /api/reference_formats
  • /api/basis/<basis_name>/format/<fmt>
  • /api/references/<basis_name>/format/<fmt>
  • /api/notes/<basis_name>
  • /api/family_notes/<family>

Citation

When publishing results obtained from use of the Basis Set Exchange software, please cite:

• A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community Pritchard, Benjamin P. and Altarawy, Doaa and Windus, Theresa L. Manuscript in Preparation

For citing the previous EMSL/PNNL Basis Set Exchange, please cite the following references:

• The Role of Databases in Support of Computational Chemistry Calculations, Feller, D., J. Comp. Chem. 1996, 17(13), 1571-1586.
• Basis Set Exchange: A Community Database for Computational Sciences Schuchardt, K.L., Didier, B.T., Elsethagen, T., Sun, L., Gurumoorthi, V., Chase, J., Li, J., and Windus, T.L. J. Chem. Inf. Model. 2007, 47(3), 1045-1052, doi:10.1021/ci600510j.

License

The code is released under the BSD 3-Clause license. See the LICENSE file for details.