Molecular Electromagnetism

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