Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory

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Courier Dover Publications, 1996 - Science - 466 pages
10 Reviews

The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation.The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation.
Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an introduction to the basic techniques, ideas, and notations of quantum chemistry, (3) a thorough discussion of the Hartree-Fock approximation, (4) a treatment of configuration interaction (Cl) and approaches incorporating electron correlation, (5) a description of the independent electron pair approximation and a variety of more sophisticated approaches that incorporate coupling between pairs, (6) a consideration of the perturbative approach to the calculation of the correlation energy of many-electron systems and (7) a brief introduction to the use of the one-particle many-body Green's function in quantum chemistry.
Over 150 exercises, designed to help the reader acquire a working knowledge of the material, are embedded in the text. The book is largely self-contained and requires no prerequisite other than a solid undergraduate physical chemistry course; however, some exposure to quantum chemistry will enhance the student's appreciation of the material. Clear and well-written, this text is ideal for the second semester of a two-semester course in quantum chemistry, or for a special topics course.

  

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Best quantum chemistry book ever which explains the Hartree-Fock method most clearly. A must-read book for who wants to know quantum chemistry!

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It is undoubtedly well written and well organised book. This is rare in the sense that It is optimized in terms of its contents. Because of a huge literature available on the subject, It is very hard to find a book which is strong on basics as well as on current issues. This serve both the purposes on equal footing.  

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Contents

MATHEMATICAL REVIEW
1
MANYELECTRON WAVE FUNCTIONS AND OPERATORS
39
THE HARTREEFOCK APPROXIMATION
108
CONFIGURATION INTERACTION
231
PAIR AND COUPLEDPAIR THEORIES
271
MANYBODY PERTURBATION THEORY
320
THE ONEPARTICLE MANYBODY GREENS FUNCTION
380
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