Infinite Volume Extrapolations of Finite Cluster Calculations-How Correct Are These

Abstract

Extrapolations of numerical data obtained from finite cluster calculations to the infinite volume limit can often give incorrect results. We discuss four separate cases: (a) the intensity of the lowest two-photon absorption in the infinite polyene, (b) bond alternation in the infinite polyene; (c) Cooper type pairing in the simple Hubbard model, and (d) pairing within the extended Hubbard model.

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Document Details

Document Type
Technical Report
Publication Date
May 01, 1993
Accession Number
ADA265648

Entities

People

  • D. Guo
  • Fanghong Guo
  • J. T. Gammel
  • K-c Ung
  • S. Mazumdar

Organizations

  • Naval Command, Control and Ocean Surveillance Center

Tags

DTIC Thesaurus Topics

  • Absorption
  • Charge Density
  • Conduction Bands
  • Distortion
  • Electrons
  • Energy
  • Energy Bands
  • Excitation
  • Extrapolation
  • Filled Bands
  • Ground State
  • High Energy
  • Ocean Surveillance
  • Two Dimensional
  • Two Photon Absorption
  • Valence
  • Valence Bands

Fields of Study

  • Physics

Readers

  • Calculus or Mathematical Analysis
  • Molecular Photonics/Laser Physics
  • Quantum Chemistry