Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids

  1. Kenny B. Lipkowitz and
  2. Donald B. Boyd
  1. James B. Anderson

Published Online: 5 JAN 2007

DOI: 10.1002/9780470125908.ch3

Reviews in Computational Chemistry, Volume 13

Reviews in Computational Chemistry, Volume 13

How to Cite

Anderson, J. B. (1999) Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids, in Reviews in Computational Chemistry, Volume 13 (eds K. B. Lipkowitz and D. B. Boyd), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470125908.ch3

Author Information

  1. Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802

Publication History

  1. Published Online: 5 JAN 2007
  2. Published Print: 1 JAN 1999

ISBN Information

Print ISBN: 9780471331353

Online ISBN: 9780470125908

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Summary

This chapter contains sections titled:

  • Introduction

  • History and Overview

  • Variational Quantum Monte Carlo

  • Diffusion Quantum Monte Carlo

  • Green's Function Quantum Monte Carlo

  • Node Structure

  • Importance Sampling

  • Trial Wavefunctions

  • Fixed-Node Calculations

  • Released-Node Calculations

  • Exact Cancellation Method

  • Difference Schemes

  • Excited States

  • Use of Pseudopotentials

  • A Sampling of Applications

  • Conclusions

  • Acknowledgments