Simons and Nichols. Quantum Mechanics in Chemistry 2024

Textbook in PDF format

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.
The Basic Tools of Quantum Mechanics
Approximation Methods
Nuclear Motion
Atomic Orbitals
Molecular Orbitals
Quantum Mechanics in Reactions
Further Characterization of Molecular Orbitals
Electronic Configurations
Symmetry of Electronic Wavefunctions
Angular Momentum and Group Symmetries of Electronic Wavefunctions
Evaluating the Matrix Elements of N-electron Wavefunctions
Quantum Mechanical Picture of Bond Making and Breaking Reactions
Molecular Rotation and Vibration
Time-dependent Quantum Dynamics
Spectroscopy
Collisions and Scattering
Higher Order Corrections to Electronic Structure
Multiconfiguration Wavefunctions
Multi-Determinant Wavefunctions
Response Theory
Problem Sets
Problems
Index
Glossary