An improved version of ISICS: a program for calculating K-, L- and M-shell cross sections from PWBA and ECPSSR theory using a personal computer

Abstract

The C program, ISICS [Z. Liu, S.J. Cipolla, Comput. Phys. Comm. 97 (1996) 315–330], which calculates ionization and X-ray production cross-sections using PWBA and ECPSSR theory, has been enhanced to include new options, correct some minor flaws, and to make the program more versatile. Program summary Title of program: ISICS Catalog identifier: ADDS_v2_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADDS_v2_0 Program available from: CPC Program Library, Queen's University of Belfast, N. Ireland Operating system under which the program has been tested: WINDOWS XP Program language used: C Computer: 80486 or higher-level PCs No. of lines in distributed program, including test data, etc.: 5343 No. of bytes in distributed program, including test data, etc.: 151 838 Distribution format: tar.gz Catalogue identifier of previous version: ADDS Journal reference of previous version: Comput. Phys. Comm. 97 (1996) 315–330 Does the new version supersede the previous version: Yes Nature of the physical problem: Ionization and X-ray production cross-section calculations for ion–atom collisions. Reasons for new version: Increased functionality and new options. Summary of revisions: Option for the united-atom approximation for binding-energy correction; easier inputting of updated atomic parameters; extension of projectile energy down to eV range; accounting for DHS wave function in K-shell ionization; other miscellaneous changes. Method of solution: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Restrictions on the complexity of the problem: The consumed CPU time increases with the atomic shell (K, L, M), but execution is still very fast. Typical running time: No change from previous version. Unusual features of the program: No