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
Similar Messages
09/29/1992: CDA
10/30/1992: ECPs and 2nd derivatives again
04/17/1993: Semi-empirical methods
08/17/1993: Re" Queuing systems.
09/30/1992: Chemistry software for High Schools
08/04/1992: GAUSSIAN on IBM RISC 220
01/26/1994: xmol for IBM RISC 6000?
10/05/1993: Supercomputing and the transformation of science.
03/19/1994: IBM RS6K/F90 for Quant Chem.
Raw Message Text
|