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Up Directory CCL October 29, 1992 [008]
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From:  B_DUKE-0at0-DARWIN.NTU.EDU.AU (Brian Duke)
Date:  Fri, 30 Oct 1992 8:46:36 GMT
Subject:  ECPs and the GAUSSIAN LAN* basis sets.


Mike Frisch has given us some most useful information about the
LAN basis sets. I have two other questions that people on the list may
be able to answer:-

What is the best way to add polarisation d functions to the LAN* basis
sets?

Is this necessary and under what circumstances?

Thanks (and Jan - keep up the good work. We appreciate it "Down under")
                  Brian Salter-Duke (Brian Duke)
School of Chemistry and Earth Sciences, Northern Territory University
        GPO Box 40146, Casuarina, NT 0811, Australia.
Phone 089-466702   FAX 089-410460    E-mail B_DUKE (+ at +) DARWIN.NTU.EDU.AU


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