Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] acqx_v1_0.gz(8 Kbytes)|
|Manuscript Title: A program for calculating relativistic elastic electron-atom collision data.|
|Authors: A.C. Yates|
|Program title: A SCAT|
|Catalogue identifier: ACQX_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 2(1971)175|
|Programming language: Fortran.|
|Computer: CDC 6600.|
|Operating system: SCOPE 3.3.|
|RAM: 20K words|
|Word size: 60|
|Keywords: Atomic physics, Scattering, Electrons, Relativistic, Partial-waves, Spin-polarization, Numerov.|
Nature of problem:
The program calculates angular distributions (differential cross sections) and spin-polarization distributions of electrons scattered elastically by atomic targets within the framework of the static field approximation, by solving the radial Dirac equations.
The radial Dirac equations are cast into Schrodinger form, and the resulting second-order differential equation is solved by using tehe modified form of the Numerov algorithm. The partial-wave series are then summed directly.
As written, the program handles any scalar potential written as a sum of Yukawa terms, but is easily modified to treat other functional forms, or numerical tables.
The test run for Z=7, at 500 ev requireds 25 partial waves run takes 17 s to execute on the CDC 6600.
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