title: Convergence of vibrational angular momentum terms within the Watson Hamiltonian.
abstract: Vibrational angular momentum terms within the Watson Hamiltonian are often considered negligible or are approximated by the zeroth order term of an expansion of the inverse of the effective moment of inertia tensor. A multimode expansion of this tensor up to second order has been used to study the impact of first and second order terms on the vibrational transitions of N(2)H(2) and HBeH(2)BeH. Comparison with experimental data is provided. The expansion of the tensor can be exploited to introduce efficient prescreening techniques.
authors.affiliation: Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Neff
authors.forename: Tomica
authors.initials: T
authors.lastname: Hrenar
authors.forename: Dominik
authors.initials: D
authors.lastname: Oschetzki
authors.forename: Guntram
authors.initials: G
authors.lastname: Rauhut