Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] admf_v1_0.tar.gz(16 Kbytes)|
|Manuscript Title: Ion-Atom/Neon - calculation of ionization cross sections by fast ion impact for neutral target atoms ranging from lithium to neon.|
|Authors: S.F.C. O'Rourke, D.M. McSherry, D.S.F. Crothers|
|Program title: ION-ATOM/NEON|
|Catalogue identifier: ADMF_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 131(2000)129|
|Programming language: Fortran.|
|Computer: PC with four 200MHz, DEC Alpha 2000-500.|
|Operating system: Red-hat Linux 5.2, Digital UNIX Version 4.0d.|
|Word size: 64|
|Keywords: Molecular physics, Scattering, Elastic, Single ionization, Cross sections, Continuum-distorted- wave model, Continuum-distorted- wave eikonal-initial- state model, Neutral target atoms, Wave treatment.|
Nature of problem:
The code calculates total, and differential cross sections for the single ionization of neutral target atoms ranging from lithium up to and including neon by both light and heavy ion impact.
ION-ATOM/NEON allows the user to calculate the cross sections using either the continuum-distorted-wave (CDW)  or the continuum-distorted-wave ekional-initial-state (CDW-EIS)  model within a wave treatment.
Both the CDW and CDW-EIS models are two-state perturbative approximations.
Times vary according to input data but the average time taken to evaluate the total cross sections for 33 points lies between 78 seconds for the 1s shell and 426 seconds for the 2p subshell. For single differential cross sections this is reduced to lying between 1 second for the 1s shell and 3 seconds for the 2p subshell. Finally for double differential cross sections this is 0.1 seconds for the 1s shell and 0.2 seconds for the 2p.
|||S.F.C. O'Rourke, D.S.F. Crothers, J. Phys. B: At. Mol. Opt. Phys. 30 (1997) 2443.|
|||S.F.C. O'Rourke, I. Shimamura, D.S.F. Crothers, Proc. R. Soc. Lond. A 452 (1996) 175.|
|Disclaimer | ScienceDirect | CPC Journal | CPC | QUB|