Support

Support Options

Submit a Support Ticket

 
HomeResourcesTeaching MaterialsComputational Nanoscience, Lecture 20: Quantum Monte Carlo, part I › About

Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I

By Elif Ertekin1, Jeffrey C Grossman2

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

Category Teaching Materials
Abstract

This lecture provides and introduction to Quantum Monte Carlo methods. We review the concept of electron correlation and introduce Variational Monte Carlo methods as an approach to going beyond the mean field approximation. We describe briefly the Slater-Jastrow expansion of the wavefunction, and show how we can recover the some of the correlation energy using a variational approach to optimizing this form of the wavefunction.

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

Researchers should cite this work as follows:

  • Elif Ertekin; Jeffrey C Grossman (2008), "Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I," http://nanohub.org/resources/4564.

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

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