Spectroscopy of XY5Z (C4v) molecules:: Development of the Hamiltonian and the transition moment operators using a tensorial formalism

We present a development of the Hamiltonian, dipole moment, and polarizability operators of XY(5)Z (C-4 nu) molecules using a tensorial formalism derived from the one developed previously in Dijon for XY6 molecules. These operators are involved in the calculation of the energies and intensities of rovibrational transitions and are essential for spectrum simulations. Expressions for the matrix elements are derived for all these operators. (C) 2000 Academic Press.