Irreducible tensorial sets are used for constructing the reduced rotational Hamiltonian of the molecule, i.e., for obtaining the Hamiltonian with independent rotational, centrifugal distortion, and resonance parameters. General formulas are obtained which allow one to do this, and are valid for molecules of any symmetry. As an illustration of the general results, molecules of Td symmetry are considered.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics