The quantum mechanical expressions for the Hamiltonians of various isotope modifications of a polyatomic molecule are transformed to the coordinate systems connected with the molecules. Such coordinate transformations selected in the proper way permit all Hamiltonians His to be expressed as functions of the parameters rNα 0, lNαλ, ζλμ α, kλ⋯μ of one of them. Isotopic relations for the parameters of Watson's Hamiltonian (Mol. Phys. 15, 479-490 (1968)) of an arbitrary isotopic modification of a molecule are determined.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics