2. Reliable Electronic Structure Computations for Weak Noncovalent Interactions in Clusters

  1. Kenny B. Lipkowitz2 and
  2. Thomas R. Cundari3
  1. Gregory S. Tschumper

Published Online: 6 JAN 2009

DOI: 10.1002/9780470399545.ch2

Reviews in Computational Chemistry, Volume 26

Reviews in Computational Chemistry, Volume 26

How to Cite

Tschumper, G. S. (2008) Reliable Electronic Structure Computations for Weak Noncovalent Interactions in Clusters, 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.ch2

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. Department of Chemistry and Biochemistry, Coulter Hall, University of Mississippi, University, MS 38677 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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Keywords:

  • weak noncovalent interactions and rigid monomer approximation (RMA);
  • high-accuracy computational strategies;
  • second-order Møller–Plesset perturbation theory

Summary

This chapter contains sections titled:

  • Introduction and Scope

  • Weak Noncovalent Interactions

  • Fundamental Concepts: A Tutorial

  • High-Accuracy Computational Strategies

  • Less Demanding Computational Strategies

  • Other Computational Issues

  • Acknowledgments

  • References