A SET OF COMPUTING PROGRAMS SUPPORTING THE SELECTED ELECTRON SHELL METHOD,

Abstract

The SES (Selected Electron Shell) method could not be used as a practical method without proper implementation by computing programs. A considerable effort was devoted, therefore, to this end. The special report was produced that describes in detail the following programs and their results: LNPLT - Semilogarithmic plot of x-ray scattering or structure factors; RVPUN - HKL structure factor data cards with reciprocal vector; GSFPLT - Gaussian scattering factor plot; TFCNV - Temperature factor and Gaussian conversion; CONVU - Electron density functions by convolution; DIFTAP - Difference tape; PFPLT - Peak function plot; and ADDATA - Structure factor data tape; that are used in the elaborate sequence of operations needed for the SES method. (Author)

Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1968
Accession Number
AD0683739

Entities

People

  • Craig Walters
  • Marisa Canut-amoros
  • Thomas Q. Casper

Organizations

  • Southern Illinois University Carbondale

Tags

DTIC Thesaurus Topics

  • Charged Particles
  • Conversion
  • Convolution
  • Electron Density
  • Electrons
  • Elementary Fermions
  • Elementary Particles
  • Fermions
  • Leptons
  • Scattering
  • Sequences
  • Subatomic Particles
  • X Ray Scattering
  • X Rays

Fields of Study

  • Chemistry

Readers

  • Analytical Mechanics
  • Computer Science.
  • Materials Science and Engineering.

Technology Areas

  • Microelectronics