If you downloaded data from the basis set
exchange or used the basis set exchange python library, please cite:
pritchard2019a
Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
D., Windus, Theresa L.
A New Basis Set Exchange: An Open, Up-to-date Resource for the
Molecular Sciences Community
J. Chem. Inf. Model. 59, 4814-4820 (2019)
10.1021/acs.jcim.9b00725
feller1996a
Feller, David
The role of databases in support of computational chemistry
calculations
J. Comput. Chem. 17, 1571-1586 (1996)
10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
schuchardt2007a
Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
Basis Set Exchange: A Community Database for Computational Sciences
J. Chem. Inf. Model. 47, 1045-1052 (2007)
10.1021/ci600510j
References for the basis set
H
STO-3G Minimal Basis (3 functions/AO)
hehre1969a
hehre1969a
Hehre, W. J., Stewart, R. F., Pople, J. A.
Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian
Expansions of Slater-Type Atomic Orbitals
J. Chem. Phys. 51, 2657-2664 (1969)
10.1063/1.1672392