Quantum Monte Carlo Methods

 

• The Variational Principle
• Monte Carlo Methods
• Importance Sampling
  • The Metropolis Algorithm
• Variational Quantum Monte Carlo
  • Trial Wavefunctions
  • Evaluating the Local Energy
    • Evaluating the Kinetic Energy
    • Electrostatic Energies
  • Accumulating Averages
  • Performing VMC calculations of Parallel Computers
• Diffusion Quantum Monte Carlo
  • The Method
  • A DMC Algorithm
  • The Fixed-Node Approximation
  • DMC With Non-Local Pseudopotentials
  • Performing DMC Calculations on Parallel Computers