Augmented double-zeta polarized basis sets for H, C, N, and O for use with GPAW
Weseloh, Maria;
Augmented double-zeta polarized basis sets for H, C, N, and O for use with GPAW
For the basis set generation, GPAW's double-zeta polarized basis sets were augmented with numerical Gaussian-type orbitals using parameters from Basis Set Exchange's aug-cc-pVDZ basis sets.