Subject: Re: CCL:STO integration code

From: Herbert Homeier t4720 <[email-masked]>
Date: Mon, 18 Mar 96 12:43:42 +0100

Hugh, 

have a look on

FORTRAN 77 Program Package S_INT:
Computer Physics Communications Program Library, Catalogue number: ACJU. 
Description: [13] 

FORTRAN 77 Program Package D_INT:
Computer Physics Communications Program Library, Catalogue number: ACNV. 
Description: [17] 

[13] Herbert H. H. Homeier, E. Joachim Weniger, and E. Otto Steinborn. 
     Programs for the evaluation of overlap integrals with B functions. 
     Computer Physics Communications, 72:269-287, 1992. 

[17] Herbert H. H. Homeier and E. Otto Steinborn. 
     Programs for the evaluation of nuclear attraction integrals with 
     B functions. 
     Computer Physics Communications, 77:135-151, 1993. 

and references therein. More references on that topic can also be found
under my homepage. The STO molecular integrals can be written as finite linear
combinations of integrals with B functions.

Regards

Herbert

----------------------------------------------------------------
Dr. Herbert H. H. Homeier
Institut fuer Physikalische und Theoretische Chemie
Universitaet Regensburg
D-93040 Regensburg, Germany
Phone: +49-941-943 4720                FAX  : +49-941-943 2305
email: [email-masked]
<A HREF="http://rchs1.uni-regensburg.de/%7Ec5008/">HOMEPAGE</A>
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