Subject: MOLPRO & MOLCAS

From: "Dr.Tapan K.Ghanty" <[email-masked]>
Date: Thu, 9 Mar 2000 16:53:51 +0530 (IST)

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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From: Marcel Swart <[email-masked]>
Date: Thu, 9 Mar 2000 14:55:02 +0100

Dear Dr. Ghanty,

I only know the Web-address of the MOLCAS program:
http://www.teokem.lu.se/molcas/

Regards,

M. Swart.
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drs. Marcel Swart

Theoretical Chemistry (MSC)
Molecular Dynamics (GBB)

Rijksuniversiteit Groningen
Chemistry Department
Nijenborgh 4
9747 AG Groningen
The Netherlands

tel : +31 - (0)50 - 3634377
fax : +31 - (0)50 - 3634441

E-mail : [email-masked]
WWW: http://theochem.chem.rug.nl/~marcel/
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