Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aaji_v1_0.gz(23 Kbytes)|
|Manuscript Title: A general program to calculate atomic continuum processes using the NIEM method.|
|Authors: R.J.W. Henry, S.P. Rountree, E.R. Smith|
|Program title: NIEM ASYM3|
|Catalogue identifier: AAJI_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 23(1981)233|
|Programming language: Fortran.|
|Computer: IBM 3033.|
|Operating system: JES2.|
|RAM: 232K words|
|Word size: 32|
|Keywords: Atomic physics, Electron atom Scattering, Electron ion scattering, Asymptotic solutions, Reactance matrices.|
|AAJG_v1_0||NIEM POTC1||CPC 23(1981)233|
|AAJH_v1_0||NIEM NIES2||CPC 23(1981)233|
|ACWN_v1_0||0001 GRN2||CPC 23(1981)233|
Nature of problem:
Reactance K-matrices at infinity are calculated from Wigner R-matrices or reactance K-matrices which are given at a radial boundary R1STOP, either by the user or are passed by NIEM NIES2.
An integral equation method is used to solve the coupled differential equations from R1STOP to a larger radial boundary R2STOP. The regular and irregular Green's function for the method are calculated by GRN2. A projection method is used to obtain the K-matrix elements at infinity from those calculated at R2STOP.
Up to six scattering channels for each total angular momentum can be included. Larger calculations can be made by recompiling with larger dimensions.
The test run took 0.80 s on the IBM 3033.
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