Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aekn_v1_0.tar.gz(448 Kbytes)|
|Manuscript Title: ISICSoo: a class for the calculation of ionization cross sections from ECPSSR and PWBA theory|
|Authors: Matej Batic, Maria Grazia Pia, Sam J. Cipolla|
|Program title: ISICSoo|
|Catalogue identifier: AEKN_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 183(2012)398|
|Programming language: C++.|
|Computer: 80486 or higher-level PC or Mac.|
|Operating system: Any OS with gcc compiler version 4.1 (or newer); tested on Scientific Linux 5 (gcc 4.1.2), Mac OS X 10.6.5 (gcc 4.2.1) and Windows XP (MS Visual C++ 2010 Express).|
|Keywords: Atomic K-, L- and M-shell ionization cross section, PWBA cross sections, ECPSSR, ISICS.|
Nature of problem:
Ionization and X-ray production cross section calculations for ion-atom collisions.
Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits.
This program is a portable version of the program ADDS_v4_0.
Reasons for the new version: Capability of using ISICS physics functionality in other software systems; porting the software to other platforms than Microsoft Windows; improved computational robustness and performance.
Summary of revisions: Reengineering into a C++ class; several internal modications to improve correctness and robustness; updated binding energies tabulations; performance improvements.
The running time depends on the selected atomic shell and the number of polynomials used in the Gaussian quadrature integration. The examples provided only take seconds to run.
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