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Conceptual and computational advances in multiple-scattering electronic-structure calculations

โœ Scribed by Rudolf Zeller

Book ID
117627171
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
671 KB
Volume
10
Category
Article
ISSN
0927-0256

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Computation of photo-electron and Auger-
Computation of photo-electron and Auger-electron diffraction II. Multiple scattering cluster calculation PAD2
โœ G.R. Harp; Y. Ueda; X. Chen; D.K. Saldin ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 525 KB

In this paper, we describe the second (PAD2) of the suite of computer programs for the calculation of angle-resolved photo-or Auger-electron diffraction intensities, using a concentric-shell algorithm (CSA). The function of the present program is to evaluate the scattering matrix that relates the wa