Lubos Mitas
Diffusion Monte Carlo

  1. Lecture 1:
    1. Imaginary time Schroedinger equation and its relation to the diffusion/branching processes; representation of wavefunction by walkers; Green function for a particle in a potential
    2. Importance sampling and Green function with a drift; efficiency and estimators vs quality of trial wavefunction; two-electron systems
  2. Lecture 2:
    1. Antisymmetry and fixed-node approximation; properties of nodal surfaces and nodal cells; fixed-node bias; multi-electron systems
    2. Calculation of realistic systems and core electrons: DMC and pseudopotential techniques; DMC and non-local operators
NATO ASI, Cornell Theory Center,

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