Calculation exercises wanted - summary



 Dear CCLers,
 probably some of you are waiting for a summary of the answers I got to the
 question I asked some days ago.
 What I was looking for were good books and internet pages (or everything else)
 with collections of paper-and-pencil exercises (and solutions, hopefully :-) )
 concerning the following "advanced" topics in quantum chemistry:
 - unrestricted Hartree-Fock
 - configuration interaction
 - Moeller-Plesset perturbation theory
 - coupled-cluster methods
 - density functional theory
 I want to apply them in a training course (which accompanies some lectures) for
 students with basic knowledge in quantum chemistry (Hartee-Fock etc.) that are
 interested in the theoretical foundation and background of methods including
 electron correlation.
 Many thanks to:
 - Samuel A. Abrash <sabrash # - at - # richmond.edu>
 - Darko Babic <dbabic # - at - # rudjer.irb.hr>
 - Emili Besalú <emili # - at - # stark.udg.es>
 - Eduardo A. Castro (Cespi) <jubert # - at - # isis.unlp.edu.ar>
 - Joseph G. Fripiat <Joseph.Fripiat # - at - # fundp.ac.be>
 - Andreas Goeller <goeller # - at - # pc04.chemie.uni-jena.de>
 - Alexander Klinsky <alex.klinsky # - at - # scientist.com>
 - Rainer Koch <rainer.koch # - at - # uni-oldenburg.de>
 - Gershom (Jan M.L.) Martin <comartin # - at - # wicc.weizmann.ac.il>
 - Christian Mueck-Lichtenfeld <cml # - at - # uni-muenster.de>
 - Barbara Murray <bmurray # - at - # jasper.uor.edu>
 - Thomas Ritschel <ritschel # - at - # tc1.chem.uni-potsdam.de>
 - Georg Schreckenbach <schrecke # - at - # t12.lanl.gov>
 - Huub van Dam <h.j.j.vandam # - at - # dl.ac.uk>
 - Shyam Vyas <svyas # - at - # msicam.co.uk>
 - Brian Williams <williams # - at - # bucknell.edu>
 - Richard Wood <dmpc # - at - # hugh.chem.uic.edu>
 for help and to:
 - Susan R. Atlas <susie # - at - # sapphire.phys.unm.edu>
 - Luigi Cavallo <cavallo # - at - # chemna.dichi.unina.it>
 - Hege Stroemsnes <hege # - at - # platina.chem.uit.no>
 for interest (sorted by name; hopefully I don't forget anyone)!
 I was really overwhelmed by the attention attributed to my question. Since this
 e-mail would get quite long when I paste all the original answers together, I
 simply list here the hints given to me. Although I was originally searching
 for paper-and-pencil exercises, the listed sources deal partly with computer
 exercises. Some books and internet pages were mentioned several times, so it
 looks to me a little bit like a ranking of the most popular quantum chemistry
 books and internet pages :-)
 Hints to books and articles (sorted by first author):
 - Jean-Marie Andre, David H. Mosley, Marie-Claude Andre, Benoit Champagne,
   Enrico Clementi, Joseph G. Fripiat, Laurence Leherte, Lorenzo Pisani, Daniel
   P. Vercauteren and Marjan Vracko, "Exploring Aspects of Computational
   Chemistry: Concepts" and "Exploring Aspects of Computational
 Chemistry:
   Exercises", Presses Universitaires de Namur
 - Emili Besalú and Ramon Carbó-Dorca, "Rayleigh-Schrödinger
 Perturbation Theory
   in Matrix Form", J. Chem. Educ. 75, No. 4, April 1998
 - Foresman, Frisch, "Exploring chemistry with electronic structure
 methods"
   (tutorial booklet of the Gaussian people), Gaussian Inc., 1996
 - G.H. Grant and W.G. Richards, "Computational Chemistry", Oxford
 University
   Press, Oxford, 1995
 - Frank Jensen, "Introduction to Computational Chemistry", Wiley, 1999
   (mentioned three times!!)
 - Th. M. Klapötke and A. Schulz, "Quantenmechanische Methoden in
   der Hauptgruppenchemie", Spektrum Verlag, 1996, ISBN 3-86025-277-1
 - Eugene S. Kryachko and Eduardo V. Ludena, "Energy Density Functional
 Theory
   of Many-Electron Systems", Kluwer Academic Publishers, Dordrecht, 1990
 - A.R. Leach, "Molecular Modeling: Principles and Applications",
 Addison
   Wesley Longman Limited, Essex, 1996
 - Bjoern O. Roos (Ed.), "Lecture Notes in Quantum Chemistry" and
 "Lecture
   Notes in Quantum Chemistry II" (lecture notes of the European
 Summerschool in
   Quantum Chemistry (ESQC)), Lecture notes in Chemistry Vols. 58 and 64,
   Springer Verlag, Berlin, 1992 and 1995 (mentioned two times!)
 - Attila Szabo and Neil S. Ostlund, "Modern Quantum Chemistry. Introduction
 to
   Advanced Electronic Structure Theory", Dover or McGraw Hill, New York,
 1996,
   $14.00 (mentioned six times!!!)
 - R. McWeeny, "Methods of Molecular Quantum Mechanics", 2nd Ed.,
 Academic
   Press, London 1992
 Hints to internet pages (sorted alphabetically):
 - http://bogense.chem.ou.dk/~icc/
 - National Institute of Health page
 - http://pollux.chem.umn.edu/~sullivan/8003/index.html
   (Cramer's web page at the University of Minnesota in Minneapolis)
 - http://www.auburn.edu/~youngd2/topics/contents.html
 (mentioned two times!)
 - http://www.chimie.fundp.ac.be/cta/eacc/eacc.html#EACC_ex
 - http://www.msi.com/science/tech/qm/index.html
 Since I was also active during the last days, until now I additionally found
 the following books with paper-and-pencil exercises and partly also with
 solutions (sorted by first author):
 - P.W. Atkins and R.S. Friedman, "Molecular Quantum Mechanics", 3rd
 Edn.,
   Oxford University Press, Oxford 1997
 - Ira N. Levine, "Quantum Chemistry", 4th Edn., Prentice-Hall
 International
   Inc., Englewood Cliffs, 1991
 - Peter R. Surjan, "Second Quantized Approach to Quantum Chemistry",
   Springer-Verlag, Berlin, 1989
 - Lutz Zuelicke, "Quantenchemie", Vols. 1 and 2, VEB Deutscher Verlag
 der
   Wissenschaften and Dr. Alfred Huethig Verlag, Berlin and Heidelberg, 1973 and
   1985
 Now I have to go through all this material, look what I can find here, pick out
 suitable exercises, give them to the students and solve them for my own, of
 course :-) If anybody out there is interested in this further process (I think
 it will last some weeks), please contact me directly.
 Again many thanks to all who answered!
 Best regards
 Dipl.-Chem. Wibke Sudholt
 Institute of Theoretical Chemistry
 Heinrich-Heine-University
 Duesseldorf, Germany
 wibke # - at - # theochem.uni-duesseldorf.de