Quantum Chemistry - 2nd Edition - ISBN: 9780124575554, 9780080515540

Quantum Chemistry

2nd Edition

Authors: John Lowe
eBook ISBN: 9780080515540
Imprint: Academic Press
Published Date: 29th June 1993
Page Count: 711
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Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included.

Key Features

  • Assumes little mathematical or physical sophistication
  • Emphasizes understanding of the techniques and results of quantum chemistry
  • Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration
  • Provides a new chapter on molecular orbital theory of periodic systems
  • Features new exercise sets with solutions
  • Includes a helpful new appendix that compiles angular momentum rules from operator algebra


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

Table of Contents

  1. Classical Waves and the Time-Independent Schridinger Wave Equation.
  2. Quantum Mechanics of Some Simple Systems.
  3. The One-Dimensional Harmonic Oscillator.
  4. The Hydrogenlike Ion, Angular Momentum, and the Rigid Rotor.
  5. Many-Electron Atoms.
  6. Postulates and Theorems of Quantum Mechanics.
  7. The Variation Method.
  8. The Simple Huckel Method and Applications. 9. Matrix Formulation of the Linear Variation Method.
  9. The Extended Huckel Method.
  10. The SCF-LCAO-MO Method and Extensions.
  11. Time-Independent Rayleigh-Schridinger Perturbation Theory.
  12. Group Theory.
  13. Qualitative Molecular Orbital Theory.
  14. Molecular Orbital Theory of Periodic Systems.


  1. Useful Integrals.
  2. Determinants.
  3. Evaluation of the Coulomb Repulsion Integral over 1s AOs.
  4. Angular Momentum Rules from Operator Algebra. 5. The Pairing Theorem.
  5. Huckel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules.
  6. Derivation of the Hartree-Fock Equation.
  7. The Virial Theorem for Atoms and Diatomic Molecules.
  8. Bra-Ket Notation.
  9. Values of Some Useful Constants and Conversion Factors.
  10. Group Theoretical Charts and Tables.
  11. Hints for Solving Selected Problems.
  12. Answers to Selected Problems.


Chapter References.


No. of pages:
© Academic Press 1993
Academic Press
eBook ISBN:

About the Author

John Lowe

Affiliations and Expertise

The Pennsylvania State University


"This is another book that everyone in and around QCPE has had a chance to read-yes, I mean read straight through. From the point of information content, this book is excellent. From the point of readability, this book should be acandidate for 'Best Written Text of the Year." --QUANTUM CHEMISTRY PROGRAM EXCHANGE

"The author shows a real knack for description and explanations accessible to the mathematically less sophisticated reader. Especially praiseworthy is his consistent attempt...always to give the wider, deeper, and qualitative significance of various mathematical theorems, results, etc....The book will be useful to a wide range of students--both undergraduate and graduate--in quantum chemistry, advanced physicalchemistry or chemical physics courses." --JOURNAL OF CHEMICAL EDUCATION

"Lowe's style is one of the most attractive aspects of his book. It is written the way students communicate, not the way pundits in the field write to impress each other.He uses specialized vocabulary sparingly, and when he does introduce the jargon of this field, it is in enough context that students may be confident in knowing what it means...I have been pleased with Lowe's first edition, and I look forward to being able to use the improvements of the second edition in my classroom as soon as the book is available." --PROFESSOR PAUL ENGELKING, University of Oregon

"This text is an excellent introduction to quantum mechanics for both undergraduate (junior and senior) and first-year graduate students in chemistry...I intend to adopt this new edition." --PROFESSOR DANIEL P. GERRITY, Reed College