Subject: Re: high quality basis sets for heavy atoms

From: uccatvm <[email-masked]>
Date: Fri, 14 May 1999 11:34:05 +0100 (BST)

Hi Ping,

For the 3rd-row atoms (Br, Kr) there are correlation consistent basis sets
available, up to cc-pV5Z. You can download them from 
http://www.emsl.pnl.gov:2080/forms/basisform.html.

For really large atoms, ECPs may be more appropriate, because they include
some relativistic effects. Unless of course you do relativistic calculations.

Hope this helps,

Tanja
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     Tanja van Mourik                                                
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