Basis set repository

Here you can find all my Coupled Cluster Atomic Natural Orbital basis sets published to date, in ACES (CFOUR) and Gaussian formats.

If using any of the basis sets found here, please cite accordingly:

ANO-VT-NZ (Atomic Natural Orbital - Virial Theorem - N-tuple Zeta)

(also available at https://bse.pnl.gov/bse/portal in many different formats):

Daniel Claudino, Ricardo Gargano, and Rodney J. Bartlett The Journal of Chemical Physics 144, 104106 (2016); https://doi.org/10.1063/1.4943275

Daniel Claudino, Ricardo Gargano, and Rodney J. Bartlett The Journal of Chemical Physics 145, 019901 (2016); https://doi.org/10.1063/1.4954989

FANO-NZ (Frozen Atomic Natural Orbital - N-tuple Zeta)

Daniel Claudino and Rodney J. Bartlett The Journal of Chemical Physics 149, 064105 (2018); https://doi.org/10.1063/1.5039741