Quantum Chemistry - 3rd Edition - ISBN: 9780124575516, 9780080470788

Quantum Chemistry

3rd Edition

Authors: John Lowe Kirk Peterson
Hardcover ISBN: 9780124575516
eBook ISBN: 9780080470788
Imprint: Academic Press
Published Date: 16th September 2005
Page Count: 728
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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

Preface to the Third Edition Preface to the Second Edition Preface to the First Edition

Classical Waves and the Time-Independent Schrödinger Wave Equation Quantum Mechanics of Some Simple Systems The One-Dimensional Harmonic Oscillator The Hydrogen-like Ion, Angular Momentum, and the Rigid Rotor Many-Electron Atoms Postulates and Theorems of Quantum Mechanics The Variation Method The Simple Hückel Method and Applications Matrix Formulation of the Linear Variation Method The Extended Hückel Method The SCF-LCAO-MO Method and Extensions Time-Independent Rayleigh-Schrödinger Perturbation Theory Group Theory Qualitative Molecular Orbital Theory 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:
Imprint:
Academic Press
eBook ISBN:
9780080470788
Hardcover ISBN:
9780124575516

About the Author

John Lowe

Affiliations and Expertise

The Pennsylvania State University

Kirk Peterson

Affiliations and Expertise

Washington State University

Reviews

@qu: "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. @source: A. Viste, emeritus, Augustana College, CHOICE, September 2006, Vol. 44, No. 1 @qu: "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." @source: S. Saebo, Mississippi State University, Starkville, MS, USA, STRUCT CHEM (2006)