Molien generating functions and integrity bases for the action of the \(\mathrm{SO}(3)\) and \(\mathrm{O}(3)\) groups on a set of vectors (Q2065667)

This paper is a follow-up to three previous articles by the same authors [J. Phys. A, Math. Theor. 46, No. 45, Article ID 455202, 27 p. (2013; Zbl 1285.22017); J. Phys. A, Math. Theor. 48, No. 3, Article ID 035201, 19 p. (2015; Zbl 1315.13018); in: Geometric methods in physics. XXXIV workshop, Białowieża, Poland, June 28 -- July 4, 2015. Basel: Birkhäuser/Springer. 105--114 (2016; Zbl 1386.13018)] which dealt with a set of two dimensional vectors under the action of the \(\mathrm{SO}(2)\) and \(\mathrm{O}(2)\) groups. The present work is dedicated on the invariants and covariants built from the coordinates of \(N\) vectors of the three dimensional space under the SO(3) and O(3) groups. The authors construct integrity bases for invariant and covariant polynomials built from a set of three dimensional vectors under the \(\mathrm{SO}(3)\) and \(\mathrm{O}(3)\). Recall that, given a representation \(V\) of \(G\), the action of \(G\) extends to the corresponding algebra \(A\) of polynomials. An integrity basis (for invariants) is then a set of polynomials that generates the algebra \(A_0\) of invariant polynomials. This algebra \(A_0\) is Cohen-Macaulay, that is, it is a finitely generated, free module over a polynomial subalgebra. The concept of integrity basis has been applied in molecular physics, solid state physics, physics of deformable bodies, high energy physics, quantum information, and general multivariate interpolation. In Section 2 are presented explicitly integrity bases for the rings of invariants and free modules of covariants when dealing with one, two or three vectors. The simplest case of a non-free module occurs for three vectors and irreducible representation \(L = 2\) and is detailed in Sect. 3. There are explicitly defined and constructed the corresponding generalized integrity basis appropriate to the representation of the electric and magnetic quadrupole moment hypersurfaces of tetratomic molecules. In Section 4 are presented two conjectures suggested by the results of the two precedent sections, one related to free modules, the other one to non-free modules. They are of practical importance to derive useful bases in the perspective of fitting symmetry-adapted quantum mechanical quantities.