Quantum Chemistry


  • John Lowe, The Pennsylvania State University
  • Kirk Peterson, Washington State University

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.
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Upper-level undergraduate and first-year graduate chemistry students taking quantum chemistry, physical chemists, and organic and inorganic chemists


Book information

  • Published: September 2005
  • ISBN: 978-0-12-457551-6


"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)

Table of Contents

Preface to the Third EditionPreface to the Second EditionPreface to the First EditionClassical Waves and the Time-Independent Schrödinger Wave EquationQuantum Mechanics of Some Simple SystemsThe One-Dimensional Harmonic OscillatorThe Hydrogen-like Ion, Angular Momentum, and the Rigid RotorMany-Electron AtomsPostulates and Theorems of Quantum MechanicsThe Variation MethodThe Simple Hückel Method and ApplicationsMatrix Formulation of the Linear Variation MethodThe Extended Hückel MethodThe SCF-LCAO-MO Method and ExtensionsTime-Independent Rayleigh-Schrödinger Perturbation TheoryGroup TheoryQualitative Molecular Orbital TheoryMolecular Orbital Theory of Periodic SystemsAppendix 1: Useful IntegralsAppendix 2: DeterminantsAppendix 3: Evaluation of the Coulomb Repulsion Integral over 1s AOsAppendix 4: Angular Momentum RulesAppendix 5: The Pairing TheoremAppendix 6: Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple MoleculesAppendix 7: Derivation of the Hartree-Fock EquationAppendix 8: The Virial Theorem for Atoms and Diatomic MoleculesAppendix 9: Bra-Ket NotationAppendix 10: Values of Some Useful Constants and Conversion FactorsAppendix 11: Group Theoretical Charts and TablesAppendix 12: Hints for Solving Selected ProblemsAppendix 13: Answers to ProblemsIndex.