CCL: double vs. split valence basis sets

 Sent to CCL by: "Shobe, David" [dshobe|-|sud-chemieinc.com]
 > Am I splitting hairs here or ...
 No, you're doubling hairs. ;-)
 Usually when the "zeta" value is mentioned, it is zeta for the valence
 AO's.   There may be times when it is necessary to make the distinction, but you
 can easily say the basis is double-zeta in the core AO's and triple-zeta in the
 valence AO's.
 --David Shobe, Ph.D., M.L.S.
 Süd-Chemie, Inc.
 phone (502) 634-7409
 fax (502) 634-7724
 Don't bother flaming me: I'm behind a firewall.
 -----Original Message-----
 > From: owner-chemistry|-|ccl.net [mailto:owner-chemistry|-|ccl.net]
 Sent: Wednesday, September 14, 2005 12:49 PM
 To: Shobe, David
 Subject: CCL: double vs. split valence basis sets
 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