Graduate-level text explains modern in-depth approaches to the calculation of the electronic structure and properties of molecules. Hartree-Fock approximation, electron pair approximation, much more. Largely self-contained, only prerequisite is solid course in physical chemistry. Over 150 exercises. 1989 edition.

CUSTOMER REVIEWS (Average Customer Rating: 4.5 based on 18 reviews)

good book!

Perhaps is the best book of physics I ever studied. If you want to understand what Hartree_Fock and beyond theories are, this is the right place to see. The exercises are well thought out and are integral part of the book: if you want to study with good results, you must solve them, for this, the authors provide all the information you need. Morever, the price, now, is really catchy.
April 29, 2008

A good book

This book is wonderful for people (like me) who had no clear idea about equations behind Hartree Fock or CCSD methods. The book is well detailed and illustrated by simple (rather simple) examples. I did the major part of exercices and I did not find a lot of mistakes: some differencies in numerical calculations sometimes. However, the problem is that some exercises are long enough to solve and this tends to stop the reader during his reading. A second point is that the Hartree Fock method is fully explained but other methods and in particular those developped in the last chapters are less detailed. Obviously this is an introduction to quantum chemistry but ... Anyway I think this book deserves its 4 stars and even more (4.5 stars). Although this book is a little old now (10 year old) it remains one of the best introduction to modern quantum chemistry and provides the reader with a general picture of problems that arise in this chemical physics field of research. This book also provides the reader with a number of references to enable further readings which is noticeable.
June 09, 2007

The Best Book about Hartree-Fock Theory

This is so far the best book written about Hartree-Fock Theory. It provides all the mathematical background of vectors, matrices and operators, necessary for the development of the theory. Then it presents the theory in a very satifactory (detailed) way. If you want to learn the Hartree-Fock theory, to the level that allows you to understand what the standard computational quantum chemical packages do, then you shoud read this book.
June 08, 2007

Excellent for quantum chemistry

This book was an excellent find for quantum chemistry. It briefly mentions the schroedinger equation and the math required for it and the rest of the book is dedicated to developing techniques and formalism in many electron systems. Purely physical and application oriented work. As mentioned in the preface, exercises are essential, the book without them appears to be a smooth reader, but it quiet isn't and there are high chances that you'll lose track if you don't solve side by side (happened with me!) So in short, if you are looking for deep philosophical insights and things like that, you might get disappointed. But excellent for application based quantum chemists.

Regards
Purushottam
May 20, 2007

A pleasure to read

An excellent introduction to the subject. For those a bit rusty on the math, the review of linear algebra and matrix algebra is quick but touches all main points, showing the authors' good grasp of the subject. One can compare this book to "Computational Chemistry" by Errol Lewars, which provides an overview of the various methods: Molecular Mechanics, Ab Initio, Semiempirical, and density functional theory. "Modern Quantum Chemistry" chooses to concentrate on Ab Initio methods, particularly Hartree-Fock, which it treats in detail and supplements with more sophisticated methods. The formalism is somewhat more in-depth than in Lewar's book.

One can obtain an overview of quantum chemistry by first reading Lewar's "Computational Chemistry" and then probe the subject in more detail with "Modern Quantum Chemistry".
March 10, 2007

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