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Symbolic algorithm for generating irreducible bases of point groups in the space of SO(3) group

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Abstract

A symbolic algorithm which can be implemented in computer algebra systems for generating bases for irreducible representations of the laboratory and intrinsic point symmetry groups acting in the rotor space is presented. The method of generalized projection operators is used. First the generalized projection operators for the intrinsic group acting in the space L2(SO(3)) are constructed. The efficiency of the algorithm is investigated by calculating the bases for both laboratory and intrinsic octahedral groups irreducible representations for the set of angular momenta up to J = 10.

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Gusev, A. A., Gerdt, V. P., Vinitsky, S. I., Derbov, V. L., Góźdź, A., & Pędrak, A. (2015). Symbolic algorithm for generating irreducible bases of point groups in the space of SO(3) group. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 9301, pp. 166–181). Springer Verlag. https://doi.org/10.1007/978-3-319-24021-3_13

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