Overlap Integrals for Atom-Metal Surface Interactions.

Abstract

Atom-metal surface overlap integrals are of utmost importance in surface energy calculations. Direct numerical evaluation of these triple integrals can be very time consuming. However, we have developed an exact algebraic expression, where formulas for the coefficients are given for both the general case and the special case where the parallel wavevector is zero. Some numerical examples of the overlap for H on A1 are given. Addiitonal keywords: Wave functions. (Author)

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Document Details

Document Type
Technical Report
Publication Date
May 01, 1985
Accession Number
ADA155038

Entities

People

  • Thomas F. George
  • W. C. Murphy

Organizations

  • University of Rochester

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Communities of Interest

  • Air Platforms
  • Weapons Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Air Force
  • Chemical Engineering
  • Chemistry
  • Classification
  • Coefficients
  • Electrons
  • Energy
  • Materials
  • Materials Science
  • New York
  • Quantum Chemistry
  • Quantum Numbers
  • Surface Chemistry
  • Surface Energy
  • United States
  • Universities

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  • Atmospheric Science / Meteorology, specifically Wind Wave Turbulence.
  • Linear Algebra
  • Systems Analysis and Design