Tight-Binding and Hueckel Models of Molecular Clusters

Abstract

The background of the theory underlying the tight-binding and Huckel models of molecular structure is briefly discussed. A description is then provided for how these methods have been used in cluster research, concentrating first on applications of the tight-binding model to silicon clusters, and then on applications of the Huckel model to metallic clusters. Comments are provided on the relative merits of the two methods. Tight-binding model, Hueckel model, Molecular clusters, Silicon clusters, Metallic clusters.

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Document Details

Document Type
Technical Report
Publication Date
May 01, 1990
Accession Number
ADA222434

Entities

People

  • Daniel A. Jelski
  • Jean M. Vienneau
  • Thomas F. George

Organizations

  • University at Buffalo

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Atomic Orbitals
  • Band Gaps
  • Band Structures
  • Charge Density
  • Chemistry
  • Electrons
  • Energy Bands
  • Engineering
  • First Principles Calculations
  • Ground State
  • Materials
  • Military Research
  • New York
  • Physics
  • Quantum Chemistry
  • United States

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Quantum Chemistry
  • Systems Analysis and Design