Summary: Atomic STO Program



 Dear Netters,
    Some weeks ago, I placed in CCl the following question :
 >I would appretiate if you could inform me of a computer program
 >which is able to compute SCF atomic wavefunctions using
 >Slater-type-orbitals and/or hydrogen-type-orbitals.
 >Info on how to download or get it would be of importance.
 Thanks for all.
 Answers:
 1)
 	ADF is a DFT program that uses Slater Type Orbitals as basis functions.
 Visit out website for more info:
 http://www.scm.com
 Best regards,
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 Bert te Velde                SCIENTIFIC COMPUTING & MODELLING
 phone: +31-20-4447625        Chemistry Department, Vrije Universiteit
 fax:   +31-20-4447643        De Boelelaan 1083
 email: tevelde -8 at 8- scm.com       1081 HV Amsterdam; The Netherlands
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 2)
 Dear Gerd,
 of course there are a lot of commercial programs like Gaussian an
 Spartan, availible for UNIX as well as for PC
 I think you will be interested in some free software.
 Then try GAMESS (for unix and pc-systems)
 Unix:
 http://www.msg.gameslab.gov/GAMESS/gamess.html
 PC:
 http://classic.chem.msu.su/gran/gamess/index.html
 Greetings
 Wolfgang
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 Dr. Wolfgang Utz
 Institut fuer Pharmazie u. LM-Chemie
 Universitaet
 Erlangen-Nuernberg
 Schuhstr. 19
 91052 Erlangen
 Tel. 09131/854100
 Fax  09131/852585
 E-mail:utz -8 at 8- pharmazie.uni-erlangen.de
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 3)
 Gerd:
 If you don't find anything else, I have an old AIM-type program (mainly
 ANSI66 FORTRAN) that contains a complete atomic GC-UHF calculation as an
 integral part.  It's STO-based, but the basis sets are not built-in (I
 just keep a copy of the Clementi/Roetti tables nearby).
 - Jack
 -=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-
  Jack A. Smith             ||
  Union Carbide             || Phone:  (304) 747-5797
  Catalyst Skill Center     || FAX:    (304) 747-4672
  P.O. Box 8361             ||
  S. Charleston, WV  25303  || smithja -8 at 8- ucarb.com
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 --
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                   Universidade Federal de Pernambuco
                 Centro de Ciencias Exatas e da Natureza
                   Departamento de Quimica Fundamental
                         http://www.dqf.ufpe.br
                          Recife - PE - Brazil
 	Gerd Bruno Rocha               E-Mail : gbr -8 at 8- npd.ufpe.br
                                               : gerd -8 at 8- simas.dqf.ufpe.br
                   DSc Student in Computational Chemistry
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