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Elementary Methods of Molecular Quantum Mechanics
ID: 172011
Valerio Magnasco
Elementary Methods of Molecular Quantum Mechanics for graduate University students of Chemistry and Physics. This readable book quantum chemistry calculations.
This book aims to bridge the gap between the classic, Coulson's Valence, and the McWeeny's Methods of Molecular Quantum Mechanics. is molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points, with a hint for their solution. Solutions are the last section of each Chapter.
* Uses clear and simplified calculation examples of quantum mechanics
* Simplifies all mathematical forms for the reader
* Provides educational training in basic methodology
1. Basic principles of quantum mechanics
2. Elementary matrix methods
3. The particle in the box
4. The hydrogen-like system
5. The variation method
6. The electron spin
7. Many-electron wavefunctions: Slater, Hartree-Fock
and related methods
8. Molecular symmetry and group theoretical methods
9. Angular momentum methods for atoms
10. Valence bond methods and the chemical bond
11. Rayleigh-Schroedinger perturbation methods
for stationary states
12. Atomic and molecular interactions
13. Evaluation of molecular integrals over STOs
This book aims to bridge the gap between the classic, Coulson's Valence, and the McWeeny's Methods of Molecular Quantum Mechanics. is molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points, with a hint for their solution. Solutions are the last section of each Chapter.
* Uses clear and simplified calculation examples of quantum mechanics
* Simplifies all mathematical forms for the reader
* Provides educational training in basic methodology
1. Basic principles of quantum mechanics
2. Elementary matrix methods
3. The particle in the box
4. The hydrogen-like system
5. The variation method
6. The electron spin
7. Many-electron wavefunctions: Slater, Hartree-Fock
and related methods
8. Molecular symmetry and group theoretical methods
9. Angular momentum methods for atoms
10. Valence bond methods and the chemical bond
11. Rayleigh-Schroedinger perturbation methods
for stationary states
12. Atomic and molecular interactions
13. Evaluation of molecular integrals over STOs
172011
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