Subject: "all electron" basis set for second row transition metal

From: "Hui-Hsu \(Gavin\) Tsai" <[email-masked]>
Date: Tue, 17 Apr 2001 11:45:10 -0400

Hi CCLers,

I have searched different sources for an "all electron" basis set
higher than 3-21G for second row transition metal and Ce.
I mainly focused on Zr and Ce so far.

If they do exist, I would appreciate knowing where to find it?
Any comment is welcome.

Gavin

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From: "Fred P. Arnold" <[email-masked]>
Date: Tue, 17 Apr 2001 12:47:33 -0500 (CDT)

This is becoming a FAQ, but the two main sources:

http://www.emsl.pnl.gov:2080/forms/basisform.html   Gaussian Basis Set
Order Form.  Huzinaga WTBS, Partridge Uncontracted, etc.

"Gaussian Basis Sets for Molecular Calculations" Huzinaga, S. (ed).
Otherwise known as the "Green Book".

						-fred

					Frederick P. Arnold, Jr.
					NUIT, Northwestern U.
					[email-masked]