New pairing wavefunctions and methods for nonlocal pseudopotentials (60' lecture)

Michele Casula

Link to Presentation slides (in PPT or PDF) format: Handouts in PPT

Topics

• Pairing wavefunctions for realistic systems
  • The concept of the resonating valence bond (RVB)
  • Geminal wavefunctions
  • Jastrow correlated geminal wavefunctions as RVB ansatz
  • Applications to some realistic systems
    • Organic compounds
    • Iron dimer
    • High pressure hydrogen
• Diffusion Monte Carlo methods with pseudopotentials
  • Non local pseudopotentials
  • Locality approximation
  • Effective fixed node Hamiltonians
    • Variational theorem
    • Lattice regularized Diffusion Monte Carlo
    • Non local Diffusion Monte Carlo