From owner-chemistry@ccl.net Wed Apr  8 16:57:01 2009
From: "Stephen.Garrison+/-srnl.doe.gov" <owner-chemistry|-|server.ccl.net>
To: CCL
Subject: CCL: All-electron basis sets for actinides
Message-Id: <-39038-090408163932-2800-nqkkuvMI1L6HN5S86lO+2Q|-|server.ccl.net>
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Date: Wed, 8 Apr 2009 16:37:06 -0400
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Sent to CCL by: Stephen.Garrison*|*srnl.doe.gov
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Does anyone know of a published, all-electron basis set for actinide 
elements, especially uranium and plutonium? The EMSL library only seems to 
have Effective Core Potential (ECP) basis sets.

Thanks.

--
Stephen L. Garrison, Ph.D.
Senior Engineer
Engineering Modeling and Simulation
Savannah River National Laboratory
Savannah River Site
773-42A, Room 181
Aiken, SC 29808
803-725-2404
Stephen.Garrison^^SRNL.doe.gov

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<br><font size=2 face="sans-serif">Does anyone know of a published, all-electron
basis set for actinide elements, especially uranium and plutonium? The
EMSL library only seems to have Effective Core Potential (ECP) basis sets.</font>
<br>
<br><font size=2 face="sans-serif">Thanks.</font>
<br><font size=2 face="sans-serif"><br>
--<br>
Stephen L. Garrison, Ph.D.<br>
Senior Engineer<br>
Engineering Modeling and Simulation<br>
Savannah River National Laboratory<br>
Savannah River Site<br>
773-42A, Room 181<br>
Aiken, SC 29808<br>
803-725-2404<br>
Stephen.Garrison^^SRNL.doe.gov<br>
</font>
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