Quantum Chemistry book cover

Quantum Chemistry

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


Published: June 1993

Imprint: Academic Press

ISBN: 978-0-12-457555-4


  • 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.

    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.
    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.


  • 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. 10. The Extended Huckel Method. 11. The SCF-LCAO-MO Method and Extensions. 12. Time-Independent Rayleigh-Schridinger Perturbation Theory. 13. Group Theory. 14. Qualitative Molecular Orbital Theory. 15. Molecular Orbital Theory of Periodic Systems. Appendixes: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. 6. Huckel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules. 7. Derivation of the Hartree-Fock Equation. 8. The Virial Theorem for Atoms and Diatomic Molecules. 9. Bra-Ket Notation. 10. Values of Some Useful Constants and Conversion Factors. 11. Group Theoretical Charts and Tables. 12. Hints for Solving Selected Problems. 13. Answers to Selected Problems. Index. Chapter References.


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