From owner-chemistry #at# ccl.net Wed Sep 14 13:31:05 2005
From: "CCL" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL: double vs. split valence basis sets
Message-Id: <-29150-050914132726-3095-2NbaQmdzjXHCm+8GjNpz2w*|*server.ccl.net>
X-Original-From: Joslyn Y Kravitz <jyudenfr*|*umich.edu>
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Date: Wed, 14 Sep 2005 12:49:19 -0400 (EDT)
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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