Programs in Physics & Physical Chemistry
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|Manuscript Title: SKEW: program for calculation of electron scattering amplitudes on atomic potential using spin-orbit relativistic correction.|
|Authors: E. Pilipczuk, I. Pilipczuk|
|Program title: SKEW|
|Catalogue identifier: ACDU_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 36(1985)101|
|Programming language: PL/1.|
|Computer: UNIVAC 1100.|
|Operating system: EXEC 8.|
|RAM: 38K words|
|Word size: 36|
|Keywords: Atomic physics, Electron, Scattering amplitude, Phase shift, Radial wave function, Atomic potential, Spin-orbit interaction, Dwba-distorted wave born approximation.|
Nature of problem:
Skew-scattering is an antisymmetric electron scattering. Along an inhomogeneous electrical field an electron receives a perpendicular force whose sign depends on the spin direction. Using DWBA theory it is possible to compute the scattering amplitude of the electron on an atomic potential which is muffin-tin like.
An iterative method is applied. It starts with an initial approximation for the phase shift. This approximation is used to fix the boundary condition for the radial wave function outside the atomic potential. Within the range of the atomic potential the Scrodinger equation is solved using a difference scheme. In this way we have the shape of the radial wave function in the whole region. On this base the next approximation of the phase shift is found and the iteration process is continued until a convergence condition is satisfied.
30 s for the test run.
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