Subject: basis set nomenclature

From: [email-masked] (Douglas A. Smith Ph.D.)
Date: Thu, 16 Jan 1997 16:35:43 -0500

A simple question with hopefully a simple answer.

In Gaussian 94, the LANL2DZ basis set is described as D95 on first row
elements, with the Los Alamos ECP plus DZ on Na-Bi.  In the literature,
people usually refer to the ECP's of Hay and Wadt.  Both use the same
reference:  Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270.

Are these really the same basis set, simply with different names?  Which is
the preferred name for publication purposes?

If they are different, please amplify on the differences and the references.

Thanks in advance.

Doug
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