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Computation of photo-electron and Auger-electron diffraction II. Multiple scattering cluster calculation PAD2

โœ Scribed by G.R. Harp; Y. Ueda; X. Chen; D.K. Saldin

Book ID
104109815
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
525 KB
Volume
112
Category
Article
ISSN
0010-4655

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โœฆ Synopsis

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 wavefunction of an electron immediately after its emission from an atomic core to the wavefield that may be detected outside a sample, using an angular-momentum expansion centered on the emitter atom. This program allows that matrix to he evaluated by any of the following schemes (in ascending order of accuracy, and computer requirements): single scattering (SS), outward multiple scattering (OS) and full multiple scattering (MS).

๐Ÿ“œ SIMILAR VOLUMES

Computation of photoelectron and Auger-e
Computation of photoelectron and Auger-electron diffraction I. Preparation of input data for the cluster calculation PAD1
โœ X. Chen; D.K. Saldin ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 689 KB

We describe the theory and implementation of multiple scattering cluster calculations of angle-resolved core-level photoelectron and Auger-electron diffraction intensities based on a concentric-shell algorithm (CSA). In this paper, we describe the first of a series of three computer programs which i