Development of the Hamiltonian and transition moment operators of symmetric top molecules using the O (3) ⊃ C∞v ⊃ C3v group chain

We present a development of the Hamiltonian, dipole moment, and polarizability operators for XY3Z molecules. These rovibrational operators are written with the aid of a tensorial formalism derived from the one already used in Dijon and adapted to the XY3Z symmetric tops in a recent paper [A. El Hilali, V. Boudon, M. Loëte, J. Mol. Spectrosc. 234 (2005) 166-174]. We use the O (3) ⊃ C∞v ⊃ C3v group chain. Expressions for the matrix elements are derived for these operators.