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.
Front Matter
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
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)