A Computational Chemistry Approach
- Introduction
- The Schrodinger Equation in the Presence of Fields
- The Time-Dependent Schrodinger Equation
- The Born–Oppenheimer Approximation
- Electron Charge and Current Density
- The Force due to Electromagnetic Fields
- Perturbation Theory
- The Hellmann–Feynman Theorem
- Time-Independent Perturbation Theory
- Electric Properties
- Electric Multipole Expansion
- Potential Energy in an Electric Field
- Magnetic Properties
- Properties Related to Nuclear Motion
- Frequency-Dependent and Spectral Properties
- Vibrational Contributions to Molecular Properties
- Short Review of Electronic Structure Methods
- Approximations to Exact Perturbation and Response Theory Expressions
- Perturbation and Response Theory with Approximate Wavefunctions
- Derivative Methods
- Examples of Calculations and Practical Issues
- Appendix A Operators
- A.1 Perturbation Operators
- A.2 Other Electronic Operators