Programs in Physics & Physical Chemistry
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|Manuscript Title: Fractional parentage coefficients for equivalent f shell electrons.|
|Authors: D.C.S. Allison, J.E. McNulty|
|Program title: F SHELL C.F.P.|
|Catalogue identifier: ACRY_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 8(1974)246|
|Programming language: Fortran.|
|Computer: ICL 1906S.|
|Operating system: GEORGE 3.|
|RAM: 18K words|
|Word size: 24|
|Keywords: General purpose, Rotation group, Ls coupling, Fractional parentage Coefficient, Seniority, Group representation Symbols.|
Nature of problem:
The CFPF package evaluates the Racah coefficients of fractional parentage for equivalent f shell electrons.
Racah has shown that fractional parentage coefficients may be factored if the states to which they refer correspond to his group theoretical classification scheme. In the case of the f shell, the fractional parentage coefficients are the product of three factors. In this program all the possible factors arising in the caluclation have been encoded in tabular form and placed in a block data segment. When all the quantum numbers of the state in question and its parent state have have been identified, the corresponding fractional prentage coefficient is found by searching through each of three tables to pick out the required factors.
Much smaller than 1 s for one fractional parentage coefficient.
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