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Quantum Chemistry
The updated classic now includes worked-out examples in each chapter!
John P. Lowe (Author), Kirk Peterson (Author)
9780124575516, Elsevier Science
Hardback, published 27 October 2005
728 pages
26 x 18.3 x 3.8 cm, 1.45 kg
"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)
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.
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
Subject Areas: Quantum & theoretical chemistry [PNRP], Physical chemistry [PNR], Atomic & molecular physics [PHM]
