Stephen Fahy
Variational Monte Carlo in Solids

  1. Form of VMC Jastrow-Slater wavefunctions for solids
    1. Physics of short- and long-range correlation factors
    2. Evaluation of single-particle wavefunctions
  2. Evaluations of Potentials in solids
    1. Pseudopotentials
    2. Periodic sums (Ewald methods)
  3. Finite Size effects
    1. Boundary Conditions
    2. Modified Hamiltonians
  4. Applications:
    1. Cohesive Energies
    2. Correlation Functions
    3. Compton Profiles
NATO ASI, Cornell Theory Center,

Last modified: Thu Jun 11 17:20:05 EDT 1998