Book: Quantum Mechanics in Chemistry (Simons and Nichols)
- Page ID
- 60507
This is a text dealing with the basics of quantum mechanics and electronic structure theory. It provides an introduction to molecular spectroscopy and to the subject of molecular dynamics.
1: The Basic Tools of Quantum Mechanics
2: Approximation Methods
3: Nuclear Motion
4: Atomic Orbitals
5: Molecular Orbitals
6: Quantum Mechanics in Reactions
7: Further Characterization of Molecular Orbitals
8: Electronic Configurations
9: Symmetry of Electronic Wavefunctions
10: Angular Momentum and Group Symmetries of Electronic Wavefunctions
11: Evaluating the Matrix Elements of N-electron Wavefunctions
12: Quantum Mechanical Picture of Bond Making and Breaking Reactions
13: Molecular Rotation and Vibration
14: Time-dependent Quantum Dynamics
15: Spectroscopy
16: Collisions and Scattering
17: Higher Order Corrections to Electronic Structure
18: Multiconfiguration Wavefunctions
19: Multi-Determinant Wavefunctions
20: Response Theory
- 21: Problem Sets
22: Problems
Front Matter
Back Matter
Contributors and Attributions
Jack Simons (Henry Eyring Scientist and Professor of Chemistry, U. Utah) Telluride Schools on Theoretical Chemistry and Jeff A. Nichols (Oak Ridge National Laboratory)