An Introduction to Relativistic Electronic Structure Theory in Quantum Chemistry

C. Brian Kellogg

• Contents
• The Fundamentals of Special Relativity
  • The Lorentz Transformation
  • Velocity Transformations
  • The Relationship of Mass and Energy
  • Manifestations of Relativity
• The Dirac Equation
  • Klein-Gordon Equation
  • Dirac's Free Particle Equation
  • Electron Spin Angular Momentum and Magnetic Moment
  • Hydrogenic Solutions of Dirac's Equation
  • The Dirac-Coulomb Hamiltonian
• Relativistic Effective Core Potentials
  • Effective Core Potentials
  • Relativistic Effective Core Potentials
  • Model Potential Methods
• Relativistic Many Body Perturbation Theory
  • Problems with Relativistic Formulations
  • The Foldy-Wouthuysen Transformation
• References