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Quantum Chemistry, 3e - Kirk Peterson

Quantum Chemistry, 3e

Hardcover

Published: 16th September 2005
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Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises.
* Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems
* Provides thorough treatment of the simple systems basic to this subject
* Emphasizes UNDERSTANDING of the techniques and results of modern quantum chemistry
* Treats MO theory from simple Huckel through ab intio methods in current use
* Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules
* Presents group theory in a context of MO applications
* Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and organic reactions
develops MO theory of periodic systems, with applications to organic polymers.

"This new edition is based closely on the already outstanding second edition, with the addition of a co-author and appropriate updating, reworking, and elaboration of the material. The overall quality of this book is on par with the excellent work by Ira N. Leveine, Quantum Chemistry (5th ed., 2000). The authors aim at conceptual understanding as well as mathematical development. The book includes a large and varied set of homework problems, together with hints and brief solutions. A distinctive feature is the inclusion of some multiple-choice questions. Generous numbers of more traditional problems are provided as well." Summing Up: Highly recommended. Upper-division undergraduates through professionals. A. Viste, emeritus, Augustana College, CHOICE, September 2006, Vol. 44, No. 1 "The book is very well written and in contrast to many other texts it focuses on the understanding of the concepts. This should provide the reader the knowledge to evaluate the various computation methods, and to make informed choices about specific quantum chemical methods for a given problem. Another attractive feature of this book are the end of chapter problems. In summary, this is an excellent text for a graduate level introduction to quantum chemistry and every teacher of these types of classes should give this text serious consideration." S. Saebo, Mississippi State University, Starkville, MS, USA, STRUCT CHEM (2006)

Classical Waves and the Time-Independent Schridinger Wave Equation
Quantum Mechanics of Some Simple Systems
The One-Dimensional Harmonic Oscillator
The Hydrogenlike Ion, Angular Momentum, and the Rigid Rotor
Many-Electron Atoms
Postulates and Theorems of Quantum Mechanics
The Variation Method
The Simple Huckel Method and Applications
Matrix Formulation of the Linear Variation Method
The Extended Huckel Method
The SCF-LCAO-MO Method and Extensions
Time-Independent Rayleigh-Schridinger Perturbation Theory
Group Theory
Qualitative Molecular Orbital Theory
Molecular Orbital Theory of Periodic Systems
Appendixes
Useful Integrals
Determinants
Evaluation of the Coulomb Repulsion Integral over 1s AOs
Angular Momentum Rules from Operator Algebra
The Pairing Theorem
Huckel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules
Derivation of the Hartree-Fock Equation
The Virial Theorem for Atoms and Diatomic Molecules
Bra-Ket Notation
Values of Some Useful Constants and Conversion Factors
Group Theoretical Charts and Tables
Hints for Solving Selected Problems
Answers to Selected Problems
Index
Chapter References
Table of Contents provided by Publisher. All Rights Reserved.

ISBN: 9780124575516
ISBN-10: 012457551X
Audience: Tertiary; University or College
Format: Hardcover
Language: English
Number Of Pages: 728
Published: 16th September 2005
Publisher: Elsevier Science Publishing Co Inc
Country of Publication: US
Dimensions (cm): 26.0 x 18.4  x 3.81
Weight (kg): 1.45
Edition Number: 3
Edition Type: Revised