Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] aekn_v1_1.tar.gz(430 Kbytes)
Manuscript Title: Corrected ISICSoo class version
Authors: Matej Batic, Maria Grazia Pia, Sam J. Cipolla
Program title: ISICSoo
Catalogue identifier: AEKN_v1_1
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 184(2013)2232
Programming language: C++.
Computer: 80486 or higher-level PC or Mac.
Operating system: Any OS with gcc compiler version 4.1 (or newer).
Supplementary material: A copy of the figure mentioned in "Summary of revisions:" can be downloaded here.
Keywords: Atomic K-, L- and M-shell ionization cross section, PWBA cross sections, ECPSSR, ISICS.
Classification: 16.7.

Does the new version supersede the previous version?: Yes

Nature of problem:
Ionization and X-ray production cross section calculations for ion-atom collisions.

Solution method:
Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits.

Reasons for new version:
The Coster-Kronig enhancement factor calculation for M3 shell x-ray production cross sections was found to be incorrect in ISICSoo.
The affected function has been corrected.

Summary of revisions:
The corresponding function members of ISICSoo class have been corrected. Figure 1 shows the relative differences between plain PWBA x-ray production cross sections between old and new ISICSoo versions. The relative differences are largest at small energies and heavy targets, but in our calculations never surpassing 15%. Ionization cross sections were not affected by implemented correction.

Additional comments:
This program is a portable version of the program ADDS_v4_1.

Running time:
Same as in previous version.

References:
[1] M. Batic, M.G. Pia, S.J. Cipolla, Comp. Phys. Comm. 183 (2012), pp. 398-404.
[2] S.J. Cipolla, Comp. Phys. Comm. 2013. submitted for publication.