Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adat_v1_0.gz(35 Kbytes)|
|Manuscript Title: ION2: calculation of single ionisation total cross section using the continuum distorted-wave eikonal initial-state approximation.|
|Authors: D. Marshall, M. McCartney, D.S.F. Crothers|
|Program title: ION2A - ION2B|
|Catalogue identifier: ADAT_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 86(1995)279|
|Programming language: Fortran.|
|Computer: DEC VAX 9210.|
|Operating system: VMS V5.4, UNICOS 7.0, HP-UX 9.0, SUNOS 4.0.|
|Word size: 32|
|Keywords: Molecular physics, Scattering, Elastic, Single ionisation, Continuum distorted Wave final-state, Eikonal initial-state, Fully stripped Projectile ion, Hydrogenic target, Conservation of Probability, Impact parameter Treatment, Wave treatment.|
Nature of problem:
ION2A/B calculates total and differential cross sections for the ionisation of hydrogen-like atoms by the impact of multiply charged fully stripped projectile ions.
ION2 allows the user to calculate total cross sections using the CDWEIS  approximation from within the wave-treatment (ION2A) and the impact parameter treatment (ION2B).
The CDWEIS approximation is a two-state perturbative approximation. Hence as the value of the charge of the projectile increases the model begins to break down, ION2B allows the user to assess the seriousness of this.
This typically depends on input data. However to obtain an accurate total cross section (3 significant figures) on the Cray YMP8 the program ION2A takes around 8 CPU seconds and the program ION2B takes around 50 CPU seconds.
|||D.S.F. Crothers and J.F. McCann, J.Phys.B:At.Mol.Phys. 16(1983)3229.|
|||W.H. Press, B.P. Flannery, S.A. Teukolsky and W.T. Vetterling, Numerical Recipes The Art of Scientific Computing - Fortran (1986) Cambridge.|
|Disclaimer | ScienceDirect | CPC Journal | CPC | QUB|