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Manuscript Title: Computing the atomic rearrangement pathways for pure electron nuclides capture by a five-shell model.
Authors: G. Galiano
Program title: PATHS5
Catalogue identifier: ADKB_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 117(1999)273
Programming language: Fortran.
Computer: IBM with 80386.
Operating system: MS-DOS 3.30 and higher.
RAM: 45K words
Word size: 32
Keywords: Nuclear physics, Activity detection, Electron capture, Atomic rearrangement, Five shell model.
Classification: 17.6.

Nature of problem:
The computation of the liquid scintillation counting efficiency for electron capture nuclides requires the determination of the atomic pathways that follows the capture of one electron by the nucleus (see [1]). A KLM three-shell model involves only 22 pathways which can be easily computed by hand. However, the complexity of determining the rearrangement pathways highly increases when more shells are considered in the model. We propose an algorithm to compute these pathways for a five-shell model which can be extended to more complex situations.

Solution method:
We consider a tree of five levels where three annihilation-creation of vacants operators are defined. We run over all the different possibilities of action of these operators, obtaining in this way all the rearrangement pathways.

We average M subshells. We do not consider the atomic rearrangement for M and outer shells.

Running time:
0.7 sec of cpu time on a Pentium 122Mh, 16Mb, IBM-compatible computer.

[1] A. Grau Malonda, Appl. Rad. Isotop. 33 (1982) 371.