Subject: TEXT FOR QUANTUM CHEMISTRY

From: "E. Lewars" <[email-masked]>
Date: Wed, 12 Oct 1994 12:02:47 -0400

Charles Lettner says he would like to brush up on his quantum chemistry and
asked for textbook suggestions.  i think he couldn't do much better than
work his way through *Quantum Chemistry* by Ira N. Levine (I think the 4th
is the latest ed., 1991; Prentice-Hall).  It starts at the start and takes
you through atoms, to molecules and the Hartree-Fock procedure, and gives
brief intros to CI, Mo..ller-Plesset and density functional.  The last
3 Chap's are a compact intro to ab initio and semiempirical methods.
The book is well-written, and goes beyond a bald presentation of facts
to offer at least an indication of the deeper meaning of QM's theorems.
This is a book not just to read; one should work as many of the problems
as possible.
I'm not sure what CL meant by a practical book, but *Experiments in
Computational Chemistry" (Hehre, Burke, Shusterman and Pietro; Wavefunction
Inc, 1993) is chock-full of things to do with the Spartan program; it 
should be applicable to some extent to, e.g., MOPAC, Hyperchem, Molgen
or Gaussian.
===
Errol Lewars
===