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An Effective Hamiltonian Study of Molecular Clusters

  • S. H. Suck Salk
  • C. K. Lutrus
  • D. E. Hagen

Abstract

Earlier we reported an improved1,2 semi-empirical effective Hamiltonian approach for studying molecular clusters. This method was shown to be highly successful in removing the problems encountered3,4 in treating hydrogen-bonded water clusters by conventional semi-empirical Hartree-Fock molecular orbital methods. The objective of the present paper is to present 1) a concise description of the semi-empirical effective Hamiltonian method in a generalized manner, and 2) results for the intermolecular binding energies or stabilization energies of large water clusters which have not been examined thus far.

Keywords

Cluster Size Water Cluster Atomic Orbital Concise Description Molecular Cluster 
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References

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Copyright information

© Plenum Press, New York 1987

Authors and Affiliations

  • S. H. Suck Salk
    • 1
  • C. K. Lutrus
    • 1
  • D. E. Hagen
    • 1
  1. 1.Department of Physics and Graduate Center for Cloud Physics ResearchUniversity of Missouri-RollaRollaUSA

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