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Molecular Electronic-Structure Theory | 
 enlarge | Authors: Trygve Helgaker, Poul Jorgensen, Jeppe Olsen
Publisher: Wiley
Category: Book
List Price: $640.00
Buy New: $516.00
You Save: $124.00 (19%)
New (6) Used (3) from $479.88
Rating:  2 reviews
Sales Rank: 1427972
Media: Hardcover
Edition: 1
Pages: 938
Number Of Items: 1
Shipping Weight (lbs): 4.7
Dimensions (in): 10 x 7.7 x 2.3
ISBN: 0471967556
Dewey Decimal Number: 541.22
EAN: 9780471967552
ASIN: 0471967556
Publication Date: September 15, 2000
Availability: Usually ships in 24 hours
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Product Description
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.
This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:
* Second quantization with spin adaptation
* Gaussian basis sets and molecular-integral evaluation
* Hartree-Fock theory
* Configuration-interaction and multi-configurational self-consistent theory
* Coupled-cluster theory for ground and excited states
* Perturbation theory for single- and multi-configurational states
* Linear-scaling techniques and the fast multipole method
* Explicity correlated wave functions
* Basis-set convergence and extrapolation
* Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies.
Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions.
This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
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| Customer Reviews:
The standard by which all other scientific monographs should be judged - 10 stars September 17, 2007
Jeff (Chicago, IL United States)
3 out of 3 found this review helpful
This is one of the greatest scientific monographs ever written. If you are not interested in the material, that's your business, but if you are a quantum chemist or trying to become one, this is the book you must read. This book covers all of the fundamental material in the field using the modern notation and avoids preserving poor presentations of basis topics which have been kept in other books alive for the sake of history. Each of the authors is a master in his craft and they have spent an extraordinary amount of work to make a book which exceeds all reasonable standards for quality. I won't reiterate the contents of the book since the Table of Contents is quite explicit but it's fair to say each chapter is one of the best presentations of its subject available.
The only weakness of this book is that it was meant to be volume one of a two-volume set, but for various reasons, the second volume has never been published. Thus, the authors did not cover their specialty, molecular properties, which is sad given a good book on that topic is missing from the literature. The price is not a weakness because this book is worth every penny of it's list price.
If you want less book for less money, these authors have contributed to the ESQC (European Summer School in Quantum Chemistry) Lecture Notes, which can be obtained from Amazon (an older version) or from Bjorn Roos at Lund University, for less than half of the cost of this book. Some of the introductory material in this book is reproduced there in an essentially identical form.
Great book, but too expensive December 3, 2006
Amos Anderson (Pasadena, CA)
1 out of 1 found this review helpful
This is the Full CI expansion of quantum chemistry literature. High quality, but high price.
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