Quantum Chemistry
3rd Edition
Description
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.
Key Features
- 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.
Readership
Upper-level undergraduate and first-year graduate chemistry students taking quantum chemistry, physical chemists, and organic and inorganic chemists
Table of Contents
Dedication
THE MOLECULAR CHALLENGE
Preface to the Third Edition
Preface to the Second Edition
Preface to the First Edition
Chapter 1: Classical Waves and the Time-Independent Schrödinger Wave Equation
Chapter 2: Quantum Mechanics of Some Simple Systems
Chapter 3: The One-Dimensional Harmonic Oscillator
Chapter 4: The Hydrogenlike Ion, Angular Momentum, and the Rigid Rotor
Chapter 5: Many-Electron Atoms
Chapter 6: Postulates and Theorems of Quantum Mechanics
Chapter 7: The Variation Method
Chapter 8: The Simple Hückel Method and Applications
Chapter 9: Matrix Formulation of the Linear Variation Method
Chapter 10: The Extended Hückel Method
Chapter 11: The SCF-LCAO-MO Method and Extensions
Chapter 12: Time-Independent Rayleigh–Schrödinger Perturbation Theory
Chapter 13: Group Theory
Chapter 14: Qualitative Molecular Orbital Theory
Chapter 15: Molecular Orbital Theory of Periodic Systems
Appendix 1: Useful Integrals
Appendix 2: Determinants
Appendix 3: Evaluation of the Coulomb Repulsion Integral Over 1s AOs
Appendix 4: Angular Momentum Rules
Appendix 5: The Pairing Theorem
Appendix 6: Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules
Appendix 7: Derivation of the Hartree–Fock Equation
Appendix 8: The Virial Theorem for Atoms and Diatomic Molecules
Appendix 9: Bra-ket Notation
Appendix 10: Values of Some Useful Constants and Conversion Factors
Appendix 11: Group Theoretical Charts and Tables
Appendix 12: Hints for Solving Selected Problems
Appendix 13: Answers to Problems
Index
Details
- No. of pages:
- 728
- Language:
- English
- Copyright:
- © Academic Press 2006
- Published:
- 16th September 2005
- Imprint:
- Academic Press
- Hardcover ISBN:
- 9780124575516
- Paperback ISBN:
- 9781493301508
- eBook ISBN:
- 9780080470788
About the Author
John Lowe
Affiliations and Expertise
The Pennsylvania State University
Kirk Peterson
Affiliations and Expertise
Washington State University
Reviews
"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)