Introduction to quantum mechanics in chemistry
Langue : Anglais
Auteurs : Ratner Mark, Schatz George
For one-term, advanced graduate or beginning graduate level courses in Quantum Chemistry. This textbook is designed to provide an integrated approach to the conceptual development of quantum chemistry and its application to current research questions involving molecular structure, energies, and spectra. Focusing on the language of quantum chemistry, the use of its most important tools, and overcoming mathematical impediments, the authors cover the field of chemical structure and properties in a modest and straightforward manner.
1. Introduction and Background to Quantum Mechanics.
2. Quantum Theory.
3. Particle-in-Box Models.
4. Rigid-Rotor Models and Angular Momentum Eigenstates.
5. Molecular Vibrations and Time-Independent Perturbation Theory.
6. The Hydrogen Atom.
7. The Helium Atom.
8. Electron Spin and the Pauli Principle.
9. Many-Electron Atoms.
10. Homonuclear Diatomic Molecules.
11. Ab Initio and Density Functional Methods.
12. Semiempirical Methods.
13. Applications of Group Theory.
14. Applications of Electric Structure Theory.
15. Time Dependence and Spectroscopy.
2. Quantum Theory.
3. Particle-in-Box Models.
4. Rigid-Rotor Models and Angular Momentum Eigenstates.
5. Molecular Vibrations and Time-Independent Perturbation Theory.
6. The Hydrogen Atom.
7. The Helium Atom.
8. Electron Spin and the Pauli Principle.
9. Many-Electron Atoms.
10. Homonuclear Diatomic Molecules.
11. Ab Initio and Density Functional Methods.
12. Semiempirical Methods.
13. Applications of Group Theory.
14. Applications of Electric Structure Theory.
15. Time Dependence and Spectroscopy.
Appendices:
Mathematical Background,
Two-Electron Repulsion Integral,
Character Tables,
Atomic Units, Energy Conversion Factors, and Physical Constants,
Solutions to Odd-Numbered Problems
- Careful Pedagogy.
- Focused presentation allows students to concentrate on technique and methods without weeding through excess reading material.
- Does not require maths beyond calculus.
- Unique treatment of vibrational spectroscopy of polyatomic molecules.
- The newest text on the market. The most up-to-date book in an area where software capabilities are changing rapidly.
Date de parution : 07-2000
Ouvrage de 304 p.
18.3x24.3 cm
Thème d’Introduction to quantum mechanics in chemistry :
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