Subject: CCL:summary:high quality basis sets for heavy atoms

From: Ping Lin <[email-masked]>
Date: Fri, 14 May 1999 14:35:55 -0500

Hi, all

Many thanks to all those replies.
Almost all the replies refer to the basis set library at EMSL:
http://www.emsl.pnl.gov:2080/forms/basisform.html
There are some basis set including some of the elements I am asking for,
i.e. the  Sadlej pvtz basis sets,  cc-pVNZ( up to 5), Ahlrichs basis
sets, etc.
I did visit the library before posting my question, because what I most
expect is a basis set in cluding all the elements I am going to deal
with. I am not sure about the performance of mixed basis sets. For some
elements, I will probably use basis sets with ECPs. Can someone comment
on the addition of the diffused and polarization functions to these
basis sets?

I would like to give my thanks to
        [email-masked] (Paul Sherwood)
        Herbert Fruchtl <[email-masked]>
        [email-masked] (Tanja van Mourik)
        [email-masked] (Larry Cuffe)

Ping Lin