Subject: Re: CCL:MOLPRO & MOLCAS

From: "Dr. Martin Schuetz" <[email-masked]>
Date: Thu, 9 Mar 2000 16:22:10 +0100 (MET)

these webpointers may help

http://www.teokem.lu.se/molcas
http://pchjw3.theochem.uni-stuttgart.de:8080/molpro

MArtin Schuetz

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Dr. Martin G. Schuetz                         Phone: 0049 (0)711-685-4397
University of Stuttgart                       Fax:   0049 (0)711-685-4442
Institute for Theoretical Chemistry
Pfaffenwaldring 55                            Room Nr: 8.161                
D-70569 Stuttgart                          
Email: [email-masked]       
WWW  : http://www.theochem.uni-stuttgart.de/~teomgs/
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On Thu, 9 Mar 2000, Dr.Tapan K.Ghanty wrote:

> Hi All,
> Can anybody tell me the approximate price of MOLPRO and MOLCAS softwares,
> and the address for correspondence for buying those softwares?
> 
> I am also interested to know if there are other efficient packages
> (commercial or free) for doing configuration interaction and CASSCF
> calculations which can be used for close shell as well as open shell
> molecule excited state geometry optimization and other excited state
> property calculations.
> 
> With thanks,
> 
> Sincerely,
> 
> Dr. Tapan K. Ghanty
> 
> 
> 
> 
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