Subject: RE: CCL:The Symmetric Group in Quantum Chemistry

From: "Brian J. Teppen" <[email-masked]>
Date: Tue, 17 Oct 95 10:31:40 EST

Gentle readers:

I must respectfully contradict Dr. Ruben Pauncz's assertion that his new book 
is "the first book which gives a systematic treatment of the subject" of the 
symmetric group in quantum chemistry. I have no doubts about the quality of his 
offering, but I just want to set the record straighter. 

In 1993 or '94 Dr. William G. Harter's book "Principles of symmetry, dynamics, 
and spectroscopy," was published by Wiley. I don't have a copy handy, but it 
was 500+ pages for ~$100. This book not only provides a systematic treatment of 
the symmetric and unitary groups in quantum chemistry and spectroscopy, but it 
does so within a broader context of group theory and its applicability to 
quantum mechanics, molecular structure, and spectroscopy. 

I am in no way affiliated with Dr. Harter or Wiley, I simply have read this 
book and enjoyed its approach. The book was developed from notes to several 
physics classes taught by Dr. Harter, so it has an heuristic and applied 
approach. The principles embodied in this book allowed Dr. Harter to predict 
the rotovibrational spectrum of buckminsterfullerene before it was ever 
discovered, a prediction that greatly aided in the confirmation of the new 
structure.

I am sure that I cannot do it justice, but the book takes a projection operator 
approach to matrix quantum mechanics. The theory and applications for 
representations of abelian groups, non-abelian groups, higher finite symmetry 
groups, continuous rotation groups, the unitary and permutation groups (with 
Young tableaux treatment) are all given chapters. Many applications are 
expanded on molecular spectra, the band theory of solids falls out, coupling of 
states and selection rules are examined, eigenvectors for coherent wavepacket 
propagation are derived, and high-quantum-number rotovibrational dynamics of 
some interesting systems are explored.

Thanks to our listowner for this very nice forum!

Brian J. Teppen                                      [email-masked]
Advanced Analytical Center for Environmental Sciences
Savannah River Ecology Laboratory
University of Georgia
Drawer E
Aiken, SC 29802

phone:803-725-3981                    fax:803-725-3309