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2 of 2 people found the following review helpful:
4.0 out of 5 stars computational quantum chemistry, July 28, 2005
This review is from: Handbook of Molecular Physics and Quantum Chemistry (Hardcover)
The "handbook" is really 3 volumes. The cost of it strongly suggests that the main buyers will be libraries, rather than individuals. With over 100 papers, the book is very up to date. Its theme is one intersection of physics and chemistry. At a level where the molecules are being modelled with quantum mechanics.

There is an extensive and detailed explanation of how one goes about building the electronic structure of the molecules. Essentially, the book is mostly about computational quantum chemistry. For all the practical cases involve the extensive use of computers to find the eigenfunctions or orbitals.

From these, we see a buildup into a resultant spectroscopy. Where the latter might be used as diagnostic tools to infer molecular structure.

There is also discussion how, at a higher level [ie. larger length scales], the quantum mechanical modelling can be averaged out into a classical molecular dynamics approach. Where the latter retains enough realism to be useful. And with the advantage that more molecules can be modelled.
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Handbook of Molecular Physics and Quantum Chemistry
Handbook of Molecular Physics and Quantum Chemistry by Stephen Wilson (Hardcover - April 14, 2003)
$1,825.00
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