From chemistry-request@server.ccl.net Thu Mar 9 10:23:43 2000 Received: from tc11.theochem.uni-stuttgart.de (teomgs@tc11.theochem.uni-stuttgart.de [129.69.55.131]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA18496 for ; Thu, 9 Mar 2000 10:23:42 -0500 Received: from localhost (teomgs@localhost) by tc11.theochem.uni-stuttgart.de (8.8.6 (PHNE_13947)/8.8.6) with ESMTP id QAA10723; Thu, 9 Mar 2000 16:22:11 +0100 (MET) X-Authentication-Warning: tc11.theochem.uni-stuttgart.de: teomgs owned process doing -bs Date: Thu, 9 Mar 2000 16:22:10 +0100 (MET) From: "Dr. Martin Schuetz" To: "Dr.Tapan K.Ghanty" cc: CHEMISTRY@CCL.net Subject: Re: CCL:MOLPRO & MOLCAS In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII these webpointers may help http://www.teokem.lu.se/molcas http://pchjw3.theochem.uni-stuttgart.de:8080/molpro MArtin Schuetz ---------------------------------------------------------------------------- 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: schuetz@theochem.uni-stuttgart.de WWW : http://www.theochem.uni-stuttgart.de/~teomgs/ ---------------------------------------------------------------------------- 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 > > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > >