CCL: double vs. split valence basis sets
- From: Joslyn Y Kravitz <jyudenfr*|*umich.edu>
- Subject: CCL: double vs. split valence basis sets
- Date: Wed, 14 Sep 2005 12:49:19 -0400 (EDT)
Sent to CCL by: Joslyn Y Kravitz [jyudenfr*|*umich.edu]
Hello all,
I have a question of semantics that I would appreciate opinions on. I
have
frequently seen the 6-31G* type basis sets referred to as double-zeta
basis sets. Technically, they are not double zeta basis sets, but
rather
are split-valence basis sets because they don't use two basis functions
for the core orbitals. Am I splitting hairs here or is it actually
important that the distinction is made?
Thanks,
Joslyn Kravitz