Download PDF Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory (Oxford science publications), by Henry F. Schaefer

Download PDF Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory (Oxford science publications), by Henry F. Schaefer

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For each of 150 landmark papers in ab initio molecular electronic structure methods, the author provides a lucid commentary. The primary focus is methodology, rather than particular chemical problems. The selected papers present important methods and illustrate their effectiveness in predicting a variety of chemical phenomena. 1984 edition.

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Product details

Series: Oxford science publications

Hardcover: 168 pages

Publisher: Oxford University Press; 1st edition (September 20, 1984)

Language: English

ISBN-10: 0198551835

ISBN-13: 978-0198551836

Product Dimensions:

5.6 x 0.6 x 8.8 inches

Shipping Weight: 12.3 ounces

Average Customer Review:

3.0 out of 5 stars

3 customer reviews

Amazon Best Sellers Rank:

#3,070,652 in Books (See Top 100 in Books)

The actual title of this book is "An incomplete list of landmark papers in ab initio molecular electronic structure methods" which appears inside the book at the top of the papers' list. Although other important papers were left out, each of the 149 papers commented inside the book represents a key step in the history of electronic structure calculations on atoms and polyatomic molecules, a field which goes under the name of Computational Quantum Chemistry. The papers cover a period of about fifty years, from 1928 (Hylleraas calculations on the He atom) up to the early 1980s when computational chemists could employ the Cray 1s supercomputer. If one keeps in mind that the selection of the papers is subjective and their number is limited by space, then the book offers a nice glimpse into the development of quantum chemistry throughout most of the 20-th century. For an historical account of the field of Quantum Chemistry, the book "Neither Physics nor Chemistry: A History of Quantum Chemistry" by Gavroglu and Simoes is highly recommended.

This book is pretty much just a list of papers that you should read if you want to understand quantum chemistry. A little overpriced I think.

The book looks outdated, since it was written in the 90s. Even though, many important developments of ab initio methods, especially by the Europeans, for example the approach to MCSCF of Werner, the property calculations by Jorgensen et al., are not included.

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Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory (Oxford science publications), by Henry F. Schaefer PDF

Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory (Oxford science publications), by Henry F. Schaefer PDF