3-21SP and 4-22SP basis sets

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A repository for quantum chemistry basis sets

https://molssi-bse.github.io/basis_set_exchange/

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3-21SP and 4-22SP basis sets #273

Open susilehtola opened 1 year ago

susilehtola commented 1 year ago

Mitin, Hirsch and Bunker have reported small split-valence 3-21SP and 4-22SP basis sets as more accurate alternatives to 3-21G and 4-31G. The sets are described in

[ ] Chem. Phys. Lett. 259, 151 (1996) for first-row atoms and
[ ] J. Comput. Chem. 18, 1200 (1997) for second-row atoms