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. - 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



Klappentext

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.

  • 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



Inhalt

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

Titel
Quantum Chemistry
EAN
9780080515540
Format
E-Book (pdf)
Veröffentlichung
02.12.2012
Digitaler Kopierschutz
Wasserzeichen
Dateigrösse
69.63 MB
Anzahl Seiten
711