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.
1. Cover image - p. 1 2. Title page - p. 2 3. Table of Contents - p. 3 4. Copyright - p. 4 5. Dedication - p. 5 6. THE MOLECULAR CHALLENGE - p. 6 7. Preface to the Third Edition - p. 7 8. Preface to the Second Edition - p. 8 9. Preface to the First Edition - p. 9 10. Chapter 1: Classical Waves and the Time-Independent Schrödinger Wave Equation - p. 10 11. Chapter 2: Quantum Mechanics of Some Simple Systems - p. 21 12. Chapter 3: The One-Dimensional Harmonic Oscillator - p. 36 13. Chapter 4: The Hydrogenlike Ion, Angular Momentum, and the Rigid Rotor - p. 43 14. Chapter 5: Many-Electron Atoms - p. 56 15. Chapter 6: Postulates and Theorems of Quantum Mechanics - p. 73 16. Chapter 7: The Variation Method - p. 82 17. Chapter 8: The Simple Hückel Method and Applications - p. 99 18. Chapter 9: Matrix Formulation of the Linear Variation Method - p. 121 19. Chapter 10: The Extended Hückel Method - p. 127 20. Chapter 11: The SCF-LCAO-MO Method and Extensions - p. 135 21. Chapter 12: Time-Independent Rayleigh–Schrödinger Perturbation Theory - p. 154 22. Chapter 13: Group Theory - p. 168 23. Chapter 14: Qualitative Molecular Orbital Theory - p. 186 24. Chapter 15: Molecular Orbital Theory of Periodic Systems - p. 200 25. Appendix 1: Useful Integrals - p. 221 26. Appendix 2: Determinants - p. 222 27. Appendix 3: Evaluation of the Coulomb Repulsion Integral Over 1s AOs - p. 223 28. Appendix 4: Angular Momentum Rules - p. 224 29. Appendix 5: The Pairing Theorem - p. 227 30. Appendix 6: Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules - p. 228 31. Appendix 7: Derivation of the Hartree–Fock Equation - p. 229 32. Appendix 8: The Virial Theorem for Atoms and Diatomic Molecules - p. 233 33. Appendix 9: Bra-ket Notation - p. 234 34. Appendix 10: Values of Some Useful Constants and Conversion Factors - p. 235 35. Appendix 11: Group Theoretical Charts and Tables - p. 236 36. Appendix 12: Hints for Solving Selected Problems - p. 237 37. Appendix 13: Answers to Problems - p. 238 38. Index - p. 249
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.
1. Cover image - p. 1 2. Title page - p. 2 3. Table of Contents - p. 3 4. Copyright - p. 4 5. Dedication - p. 5 6. THE MOLECULAR CHALLENGE - p. 6 7. Preface to the Third Edition - p. 7 8. Preface to the Second Edition - p. 8 9. Preface to the First Edition - p. 9 10. Chapter 1: Classical Waves and the Time-Independent Schrödinger Wave Equation - p. 10 11. Chapter 2: Quantum Mechanics of Some Simple Systems - p. 21 12. Chapter 3: The One-Dimensional Harmonic Oscillator - p. 36 13. Chapter 4: The Hydrogenlike Ion, Angular Momentum, and the Rigid Rotor - p. 43 14. Chapter 5: Many-Electron Atoms - p. 56 15. Chapter 6: Postulates and Theorems of Quantum Mechanics - p. 73 16. Chapter 7: The Variation Method - p. 82 17. Chapter 8: The Simple Hückel Method and Applications - p. 99 18. Chapter 9: Matrix Formulation of the Linear Variation Method - p. 121 19. Chapter 10: The Extended Hückel Method - p. 127 20. Chapter 11: The SCF-LCAO-MO Method and Extensions - p. 135 21. Chapter 12: Time-Independent Rayleigh–Schrödinger Perturbation Theory - p. 154 22. Chapter 13: Group Theory - p. 168 23. Chapter 14: Qualitative Molecular Orbital Theory - p. 186 24. Chapter 15: Molecular Orbital Theory of Periodic Systems - p. 200 25. Appendix 1: Useful Integrals - p. 221 26. Appendix 2: Determinants - p. 222 27. Appendix 3: Evaluation of the Coulomb Repulsion Integral Over 1s AOs - p. 223 28. Appendix 4: Angular Momentum Rules - p. 224 29. Appendix 5: The Pairing Theorem - p. 227 30. Appendix 6: Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules - p. 228 31. Appendix 7: Derivation of the Hartree–Fock Equation - p. 229 32. Appendix 8: The Virial Theorem for Atoms and Diatomic Molecules - p. 233 33. Appendix 9: Bra-ket Notation - p. 234 34. Appendix 10: Values of Some Useful Constants and Conversion Factors - p. 235 35. Appendix 11: Group Theoretical Charts and Tables - p. 236 36. Appendix 12: Hints for Solving Selected Problems - p. 237 37. Appendix 13: Answers to Problems - p. 238 38. Index - p. 249
