Spectroscopy of XY(5)Z (C(4v)) 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(4v)) molecules using a tensorial formalism derived from the one developed previously in Dijon for XY(6) 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. Copyright 2000 Academic Press.
Rotger
M
Laboratoire de Physique de l'Université de Bourgogne, UMR CNRS 5027, 9 Avenue Alain Savary, Dijon Cedex, F-21078, France
Boudon
V
Loëte
M