Notes about Dunning basis sets
==============================

cc-pVDZ (and related) for Sc-Zn
--------------------------------

balabanov2006a forms cc-pVDZ-DK from cc-pVTZ-DK by "removing the last
atomic natural orbital (ANO) contraction in the s, p, and d shells,
as well as the single g function. The two f-type functions from the
triple-zeta set were contracted to one according to...". See paper
for details.

The cc-pVnZ are then formed from cc-pVnZ-DK


cc-pV5Z (and related)
---------------------

The cc-pV5Z basis set for H,B-Ne and Al-Ar reference literature
(dunning1989a and woon1993a) which only contain information for
up to cc-pVQZ. These are still typically cited for cc-pV5Z, which
as far as I am aware, has not been published, but use the methodology
from the earlier papers.

This is also true for the diffuse functions for cc-pV5Z for H,B-Ne,
which are not explicitly given in kendall1992a.


Differences from literature
---------------------------

The value for the augmenting p function for H in aug-cc-pVDZ in
kendall1992a is incorrect (should be 0.141, not 0.727)


Calcium basis sets
------------------

koput2002a is cited for several basis sets for Ca. The paper only has
details for cc-PVQZ and cc-PV5Z. The others have not yet been published
(as of March 2018).  According to Dr. J. Grant Hill, this paper is still
typically referenced for the other basis sets in the absence of a better
reference.
