6. Hybrid Methods for Atomic-Level Simulations Spanning Multiple–Length Scales in the Solid State

  1. Kenny B. Lipkowitz2,
  2. Thomas R. Cundari3
  1. Francesca Tavazza,
  2. Lyle E. Levine,
  3. Anne M. Chaka

Published Online: 6 JAN 2009

DOI: 10.1002/9780470399545.ch6

Book Title

Reviews in Computational Chemistry, Volume 26

Reviews in Computational Chemistry, Volume 26

Additional Information

How to Cite

Tavazza, F., Levine, L. E. and Chaka, A. M. (2009) Hybrid Methods for Atomic-Level Simulations Spanning Multiple–Length Scales in the Solid State, in Reviews in Computational Chemistry, Volume 26 (eds K. B. Lipkowitz and T. R. Cundari), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470399545.ch6

Editor Information

  1. 2

    Office of Naval Research, 875 North Randolph Street, Arlington, VA 22203-1995, USA

  2. 3

    Department of Chemistry, University of North Texas, Box 305070, Denton, Texas 76203-5070, USA

Author Information

  1. National Institute of Standards and Technology, 100 Bureau Dr., STOP 8553, Gaithersburg, MD 20899 USA

Publication History

  1. Published Online: 6 JAN 2009
  2. Published Print: 20 OCT 2008

ISBN Information

Print ISBN: 9780470388396

Online ISBN: 9780470399545

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CHAPTER TOOLS

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Keywords:

  • atomic-level simulations and hybrid methods;
  • atomistic-to-continuum coupling procedures;
  • classical/quantum coupling

Summary

This chapter contains sections titled:

  • Introduction

  • Atomistic/Continuum Coupling

  • Classical/Quantum Coupling

  • Conclusions: The Outlook

  • Appendix: A List of Acronyms

  • References

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