Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adrm_v1_0.tar.gz(109 Kbytes)|
|Manuscript Title: New heuristic approach to the calculation of general recoupling coefficients.|
|Authors: D. Van Dyck, V. Fack|
|Program title: CycleCostAlgorithm, GYutsis|
|Catalogue identifier: ADRM_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 151(2003)354|
|Programming language: Java 1.2.|
|Computer: Pentium II-350.|
|Operating system: Linux.|
|Keywords: Angular momentum, General recoupling coefficient, Racah coefficient, Wigner n-j symbols, Graphical rules, Yutsis graph, Computational methods, Rotation group.|
Nature of problem:
A general recoupling coefficient for an arbitrary number of (integer or half-integer) angular momenta can be expressed as a formula consisting of products of 6-j coefficients summed over a certain number of variables. Such a formula can be generated using the program GYutsis (with a graphical user front end) or CycleCostAlgorithm (with a text-mode user front end).
Using the graphical techniques of Yutsis, Levinson and Vanagas  a summation formula for a general recoupling coefficient is obtained by representing the coefficient as a Yutsis graph and by performing a selection of reduction rules valid for such graphs. Each reduction rule contributes to the final summation formula by a numerical factor or by an additional summation variable. Whereas an optimal summation formula (i.e. with a minimum number of summation variables) is hard to obtain, we present here a new heuristic approach for selecting an edge from a k-cycle in order to transform it into an (k-1)-cycle (k>3) in such a way that a 'good' summation formula is obtained.
From instantaneously for the typical problems to a few seconds for the heaviest problems on a Pentium II-350 Linux-system with 256 MB RAM.
|||A.P. Yutsis, I.B. Levinson and V.V. Vanagas, Mathematical Apparatus of the Theory of Angular Momentum (Israel Program for Scientific Translation, Jerusalem, 1962).|
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