PROGRAM SUMMARY
Title of program:
ION-ATOM/NEON
Catalogue identifier:
ADMF
Ref. in CPC:
131(2000)129
Distribution format: tar gzip file
Operating system: Red-hat Linux 5.2, Digital UNIX Version 4.0d
Number of bits in a word:
64
Number of lines in distributed program, including test data, etc:
2704
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.
Programming language used: Fortran
Computer:
PC with four 200MHz ,
DEC Alpha 2000-500 .
Nature of physical 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.
Method of solution
ION-ATOM/NEON allows the user to calculate the cross sections using
either the continuum-distorted-wave (CDW) [1] or the
continuum-distorted-wave ekional-initial-state (CDW-EIS) [2] model
within a wave treatment.
Restrictions on the complexity of the program
Both the CDW and CDW-EIS models are two-state perturbative
approximations.
Typical running time
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.
Unusual features of the program
None
References
[1] S.F.C. O'Rourke, D.S.F. Crothers, J. Phys. B: At. Mol. Opt. Phys.
30 (1997) 2443.
[2] S.F.C. O'Rourke, I. Shimamura, D.S.F. Crothers, Proc. R. Soc. Lond.
A 452 (1996) 175.