CCL:G: Diffuse function as a necessay evil

From: "Dipankar Roy" <dipankarroy!^!iitb.ac.in>
Subject: CCL:G: Diffuse function as a necessay evil
Date: Sun, 26 Apr 2009 22:30:01 +0530 (IST)

 Sent to CCL by: "Dipankar Roy" [dipankarroy{=}iitb.ac.in]
 Hi,
 You can use Duuning's augmented basis sets.
 For Gaussian program, you can use Gen keyword for defining different basis
 set for different atoms. Gaussian web sites and manual contains detailed
 explanation for the same.
 Hope this may help,
 Dipankar Roy
 ***********************************************
    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)
 ***********************************************
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