Programs in Physics & Physical Chemistry
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|Manuscript Title: Classification of Auger-transitions in LS-coupling.|
|Authors: D. Ridder|
|Program title: AUGER-TRANSITIONS CLASSIFICATION|
|Catalogue identifier: AAOV_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 28(1982)201|
|Programming language: Fortran.|
|Operating system: CP/M, BS3000.|
|RAM: 26K words|
|Word size: 8|
|Keywords: Atomic physics, Spectroscopy, Ls-coupling, Complex atoms, Auger transitions, Transition probability.|
Nature of problem:
Auger transitions for light atoms may often be described in LS- coupling. This program determines whether these transitions are allowed or forbidden. In addition, information is given on the degree of forbiddenness: parity forbidden, spin-forbidden or both. For many cases of spectrum-analysis these data together with calculated transition energies will yield sufficient information for identification of observed lines. As exact calculations of transition- probabilities for Auger-decays are often very tedious, this rough distinction between allowed and several classes of forbidden transitions may be of great help for the interpretation of experimental data.
The user defines (in an interactive session) the initial and final configurations. These are tested for physical meaningfulness. Then the possible terms of these configurations are determined following the rules of quantum-mechanical sequential angular coupling. The number of occurrences of each term is indicated. Finally, the degree of forbiddenness is determined, and the user may select all terms of a specified degree or just all degrees to be output to the selectable output-unit.
Initial and final state are represented by a single configuration, respectively. S-,p- and d-shells with any number of electrons and f- shells with up to 3 electrons may be involved. The maximum number of orbitals is 9. The number of terms for initial or final state must not exceed 30. These limits may, however, be extended easily by enlarging the corresponding arrays on computer systems with larger storage than the SUPERBRAIN.
The typical running time on the SUPERBRAIN for test-case a) with interactive input is 100 s including loading of the program (12 s) and printing the results (40 s).
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