The Basis Set Exchange is developed as a collaboration between the Molecular Sciences Software Institute (MolSSI)
and the Pacific Northwest National Lab/Environmental Molecular Sciences Laboratory (PNNL/EMSL)
MolSSI is funded by the National Science Foundation, grant ACI-1547580
Members of EMSL that have contributed to the project include:
We would like to thank the following for their contributions of basis set data, as well
as their advice concerning curation
Basis set additions/errors
Found a possible error in a basis set, or think there is one we should add?
Are you a basis set developer who would like to contribute your basis set to the Basis Set Exchange?
There are two ways to contact us:
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.
Benjamin P. Pritchard, Doaa Altarawy, Brett Didier, Tara D. Gibson, Theresa L. Windus.
2019, 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.