From owner-chemistry@ccl.net Tue Nov  7 05:59:00 2006
From: "Dipankar Roy dipankarroy(!)iitb.ac.in" <owner-chemistry!A!server.ccl.net>
To: CCL
Subject: CCL:G: ECP
Message-Id: <-32950-061107045636-21915-gsdV3XHebrPatZRHza6LGw!A!server.ccl.net>
X-Original-From: "Dipankar Roy" <dipankarroy%%iitb.ac.in>
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Date: Tue, 7 Nov 2006 14:26:21 +0530 (IST)
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Sent to CCL by: "Dipankar Roy" [dipankarroy[#]iitb.ac.in]
Hi,
Ckeck the link:
http://www.gaussian.com/g_ur/k_pseudo.htm

hope this will answer your question.
-Dipankar Roy
> Sent to CCL by: "Silviu  Polosan" [polosan]*[cc.kyoto-su.ac.jp]
> Hello,
>
> Can anyone tell me how to include ECP in Gaussian03W calculations?
> Someone told me to use LANL2DZ functions, but I am affraid is not enought.
> Any answer will be appreciated.
>
> Thank you>
>
>
>


***********************************************
   Dipankar Roy
   Graduate Student of Prof. R. B. Sunoj
   Computational Chemistry Laboratory
   Dept. of Chemistry
   Indian Institute of Technology, Bombay
   India - 400076
   Phone: +91-22-2576-4130(lab)
   URL: http://www.geocities.com/dipankar_roy79/dipankar.html
***********************************************

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