Support

Support Options

Submit a Support Ticket

 
HomeResourcesTeaching MaterialsComputational Nanoscience, Lecture 21: Quantum Monte Carlo, part II › About

Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II

By Jeffrey C Grossman1, Elif Ertekin2

1. Massachusetts Institute of Technology 2. University of Illinois at Urbana-Champaign

Category Teaching Materials
Abstract

This is our second lecture in a series on Quantum Monte Carlo methods. We describe the Diffusion Monte Carlo approach here, in which the approximation to the solution is not restricted by choice of a functional form for the wavefunction. The DMC approach is explained, and the fixed node approximation is described as well. We conclude with a few examples demonstrating the application of VMC and DMC to methane and ethane.

Credits Lucas K. Wagner
University of California, Berkeley
Cite this work

Researchers should cite this work as follows:

  • Jeffrey C Grossman; Elif Ertekin (2008), "Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II," http://nanohub.org/resources/4566.

Tags
  1. computational chemistry 1
  2. computational materials 1
  3. computational science/engineering 1
  4. diffusion 1
  5. Monte Carlo 1
  6. quantum mechanics 1
  7. quantum Monte Carlo 1

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies.