We combine the diffuse basis functions from the 6-31+ G basis set of Pople and co-workers
with the correlation-consistent basis sets of Dunning and co-workers. In both wave function
and density functional calculations, the resulting basis sets reduce the basis set
superposition error almost as much as the augmented correlation-consistent basis sets,
although they are much smaller. In addition, in density functional calculations the new basis
sets, called cc-pV x Z+ where x= D, T, Q,..., or x= D+ d, T+ d, Q+ d,..., give very similar …

We combine the diffuse basis functions from the 6-31+ G basis set of Pople and co-workers
with the correlation-consistent basis sets of Dunning and coworkers. In both wave function
and density functional calculations, the resulting basis sets reduce the basis set
superposition error almost as much as the augmented correlation-consistent basis sets,
although they are much smaller. In addition, in density functional calculations the new basis
sets, called cc-pVxZ+ where x) D, T, Q,..., or x) D+ d, T+ d, Q+ d,..., give very similar energetic …