SUMMARY: Symbolic Math in Quantum Chemistry

 SUMMARY: Symbolic Math in Quantum Chemistry
 I recently posted a query about the use of symbolic math programs such
 as Mathematica or Maple to teach Quantum Chemistry. Here is a summary
 of the responses I got:
 ***FTP Sites***
 Maple:
 1.   Maple shared library:
      internet #      Internet address    Location    Directory
      129.97.140.58   daisy.uwaterloo.edu Waterloo    maple
      193.93.2.54     ftp.inria.fr        France      lang/maple
      192.16.184.250  canb.can.nl         Netherlands pub/maple-ftplib
      129.132.101.33  neptune.inf.ethz.ch Zurich      maple
 2.   archive.umich.edu:/pub/physics/maple
 Mathematica:
 1.   yoda.physics.unc.edu
 2.   mathsource.wri.com
 3.   archive.umich.edu:/pub/physics/mathematica
 ***Books***
 "Mathematica for the Sciences"  R. E. Crandall,
 "Quantum Methods with Mathematica" J. M. Feagin
 ***Program***
 Journal of Chemistry Education Software (haven't checked this one out
 yet).
 ***Other Sources***
 1. J. Cizek, F. Vinette, and J. Paldus, "Diagrammatic Approach to the
    Calculation of the Lower Bounds using Optimized Inner Projection.
    Application of the Cyclic Polyene Model", Proceedings of the
    Symposium on Many-Body Methods in Quantum Chemistry, Springer-Verlag,
    Berlin, Ed. by U. Kaldor, (1988).
 2. J. Cizek, F. Vinette, and J. Paldus, "Explicit Algebraic Form of
    Coupled Cluster Equations for the PPP Model of Benzene with an
    Approximate Inclusion of Triexcited Clusters:, Int. J. of Quantum
    Chem. 38, p.831 (1990).
 3. F. Vinette and J. Cizek, "The Use of Symbolic Computation in
    Solving Some Non-Relativistic Quantum Mechanical Problems,
    "Proceedings of the International Symposium on Symbolic and
    Algebraic Computation", Ed. by P. Gianni, G. Goos and
    J. Hatmanis, Springer-Verlag, Rome, Italy, (1988).
 4. T.C. Scott, J.F. Babb, A. Dalgarno and John D. Morgan III,
    "The Calculation of Exchange Forces: General Results and Specific
 Models",
    J. Chem. Phys. 99, p. 2841, (1993).
 5. T.C. Scott, A. Dalgarno and J.D. Morgan III, "On the Exchange
    Energy of H2+   Calculated from Polarization Perturbation Theory and the
    Holstein-Herring Method", Phys. Rev. Lett. 67, pp.1419-1422, (1991).
 6. T.C. Scott, R.A. Moore, G.J. Fee, M.B. Monagan and E.R. Vrscay,
    "Perturbative Solutions of Quantum Mechanical problems by Symbolic
     Computation", J. Comp. Phys., 87, pp.366-395, (1990).
 7. T.C. Scott, M.B. Monagan, G.J. Fee and R. Corless, "Some Applications of
    Maple Symbolic Computation to Mathematical, Scientific and Engineering
    Problems", Selection of the Proceedings of the 13th IMACS Congress,
    Ed. by E.N. Houstis and J.R. Rice, Elsevier Science, (1992).
 8. T.C. Scott, R.A. Moore, M.B. Monagan, and G.J. Fee,
    "Applications of Symbolic Computation to Relativistic Quantum
 Mechanics",
    Les Editions du CNRS, Proceedings of the International Workshop on Software
    Engineering, Artificial Intelligence and Expert Systems for High Energy and
    Nuclear Physics (IN2P3), edited by D. Perret-Gallix and W. Wojcik,
    (Conference held in Lyons), pp. 611-618, (1990).
 9. T.C. Scott, R.A. Moore, G.J. Fee, M.B. Monagan, G. Labahn, and K.O. Geddes,
    Perturbative Solutions of Quantum Mechanical Problems by Symbolic
    Computation: A Review, Int. J. Mod. Phys. C, 1, pp. 53-76, (Invitation
    from World Scientific Publ.), (1990).
 --
      	  	    	      			  -Rick
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  Richard P. Muller                                rpm $#at#$ wag.caltech.edu
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