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Principles of quantum chemistry /
Principles of Quantum Chemistry.
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
New York :
Pergamon Press,
[1972]
|
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Front Cover; Principles of Quantum Chemistry; Copyright Page; Dedication; Table of Contents; Preface; Chapter 1. Introduction; 1-1 THE USE OF MODELS IN THE SCIENCES; 1-2 MATHEMATICS IN THE SCIENCES; 1-3 SUMMARY OF THE BOOK AND HOW TO STUDY IT; Chapter 2. The Early Development of Quantum Theory; 2-1 REVIEW OF THE EARLIEST WORK IN QUANTUM THEORY; 2-2 QUANTUM THEORY; 2-3 THE SCHROEDINGER EQUATION; 2-4 INTERPRETATION OF �; 2-5 RESTRICTIONS ON THE WAVEFUNCTION; SUMMARY; Chapter 3. The Particle-in-a-box; 3-1 INTRODUCTION; 3-2 THE PARTICLE-IN-A-BOX.
- 3-3 EXAMINATION OF THE SOLUTION OF THE PARTICLE-IN-A- BOX PROBLEMSUMMARY; EXERCISES; Chapter 4. General Formulation of the Theory of Quantum Mechanics; 4-1 INTRODUCTION; 4-2 POSTULATES OF QUANTUM MECHANICS; 4-3 NORMALIZATION OF THE WAVEFUNCTION; 4-4 HERMITICITY OF OPERATORS; 4-5 ORTHOGONALITY OF WAVEFUNCTIONS; 4-6 DIRAC NOTATION; 4-7 ORTHONORMALITY AND COMPLETENESS OF WAVEFUNCTIONS; 4-8 EXPANSION OF WAVEFUNCTIONS; 4-9 AVERAGE VALUES OF OBSERVABLES; 4-10 COMMUTATION OF OPERATORS; 4-11 QUANTUM MECHANICAL MEANING OF COMMUTATION OF OPERATORS; 4-12 HEISENBERG UNCERTAINTY PRINCIPLE.
- 4-13 THE HAMILTONIAN OPERATOR4-14 SCHROEDINGER'S EQUATION FOR A STATIONARY STATE; SUMMARY; EXERCISES; Chapter 5. The Treatment of Angular Momentum in Quantum Mechanics; 5-1 INTRODUCTION; 5-2 OPERATORS FOR ANGULAR MOMENTUM; 5-3 EIGENVALUES OF THE ANGULAR MOMENTUM OPERATORS; 5-4 TREATMENT OF SPIN; SUMMARY; EXERCISES; Chapter 6. Examples of Solutions of Schroedinger Equations; 6-1 INTRODUCTION; 6-2 THE RIGID ROTATOR; 6-3 ORTHOGONALITY AND NORMALIZATION OF THE SOLUTIONS OF THE RIGID ROTATOR PROBLEM; 6-4 THE HARMONIC OSCILLATOR; 6-5 THE HYDROGEN ATOM; SUMMARY; EXERCISES.
- Chapter 7. Approximation Methods in Quantum Chemistry7-1 INTRODUCTION; 7-2 VARIATION METHOD; 7-3 PERTURBATION THEORY; SUMMARY; EXERCISES; Chapter 8. Symmetry in Chemistry; 8-1 INTRODUCTION; 8-2 THE ELEMENTS OF GROUP THEORY; 8-3 MOLECULAR SYMMETRY OPERATIONS; 8-4 REPRESENTATION OF GROUPS; 8-5 CHARACTERS OF REPRESENTATIONS AND CHARACTER TABLES; 8-6 PROPERTIES OF IRREDUCIBLE REPRESENTATIONS AND THEIR CHARACTERS; 8-7 RELATIONSHIP OF GROUP THEORY TO QUANTUM CHEMISTRY; 8-8 THE DIRECT PRODUCT; SUMMARY; EXERCISES; Chapter 9. Many-electron Atoms; 9-1 INTRODUCTION.
- 9-2 THE SCHROEDINGER EQUATION FOR MANY-ELECTRON ATOMS9-3 THE INDEPENDENT-PARTICLE MODEL; 9-4 THE HELIUM ATOM; 9-5 SPIN-ORBITALS; 9-6 INDISTINGUISHABLE PARTICLES: THE PAULI EXCLUSION PRINCIPLE; 9-7 WAVEFUNCTIONS FOR MANY-ELECTRON SYSTEMS: SLATER DETERMINANTS; 9-8 PERIODIC SYSTEM OF THE ELEMENTS; 9-9 ANGULAR MOMENTUM OF MANY-ELECTRON ATOMS; 9-10 RELATIVE ENERGIES OF ATOMIC STATES; 9-11 HARTREE-FOCK SELF-CONSISTENT FIELD METHOD; 9-12 CORRELATION ENERGY; 9-13 SLATER-TYPE ORBITALS; SUMMARY; EXERCISES; Chapter 10. Molecular-orbital Theory; 10-1 INTRODUCTION; 10-2 THE BORN-OPPENHEIMER APPROXIMATION.