Based on the formalism of irreducible tensor operators, the operator matrix of the effective rotational operator is determined in the general form for XYZ 3-type molecules of axial symmetry. Based on the symmetric properties of the Hamiltonian and the vibrational wave functions of molecules of this type, a number of previously unknown relationships are derived for the spectroscopic parameters.
- properties of the Hamiltonian
- spectroscopic parameters
- symmetry of a molecule
ASJC Scopus subject areas
- Physics and Astronomy(all)