v 1 1 1 A pr 1 99 6 A General Algebraic Model for Molecular Vibrational Spectroscopy
نویسندگان
چکیده
We introduce the Anharmonic Oscillator Symmetry Model to describe vibrational ex-citations in molecular systems exhibiting high degree of symmetry. A systematic procedure is proposed to establish the relation between the algebraic and configuration space formulations , leading to new interactions in the algebraic model. This approach incorporates the full power of group theoretical techniques and provides reliable spectroscopic predictions. We illustrate the method for the case of D 3h-triatomic molecules.
منابع مشابه
ar X iv : c he m - p h / 96 03 00 2 v 1 1 3 M ar 1 99 6 A Symmetry Adapted Approach to Molecular Spectroscopy : The Anharmonic Oscillator Symmetry Model
We apply the Anharmonic Oscillator Symmetry Model to the description of vibrational excitations in D 3h and T d molecules. A systematic procedure can be used to establish the relation between the algebraic and configuration space formulations, by means of which new interactions are found in the algebraic model, leading to reliable spectroscopic predictions. We illustrate the method for the case...
متن کامل0 D ec 1 99 6 A general algebraic model for vibrational molecular spectroscopy
1 Algebraic Model We present a symmetry-adapted version of the vibron model [1]. The model exploits the isomorphism of the U(2) Lie Algebra and the one dimensional Morse oscillator [4]. A U(2) algebra is assigned to each relevant interatomic interaction. The operators in the model are expressed in terms of the generators of the molecular dynamical group [3], which in the case of triatomic molec...
متن کاملA pr 1 99 9 Fermi resonance - algebraic model for molecular vibrational spectra ∗
A Fermi resonance-algebraic model is proposed for molecular vibrations, where a U(2) algebra is used for describing the vibrations of each bond, and Fermi resonances between stretching and bending modes are taken into account. The model for a bent molecule XY2 and a molecule XY3 is successfully applied to fit the recently observed vibrational spectrum of the water molecule and arsine (AsH3), re...
متن کاملl - th / 9 50 40 14 v 1 1 1 A pr 1 99 5 Order and Chaos in Roto – Vibrational States of Atomic Nuclei
Using a classical analytical criterion (that of curvature) and numerical results (Poincarè sections and spectral statistics), a transition order–chaos– order in the roto–vibrational model of atomic nuclei has been shown. Numerical calculations were performed for some deformed nuclei.
متن کامل2 5 A ug 1 99 7 A comparison between algebraic models of molecular spectroscopy
We discuss a symmetry-adapted algebraic (or vibron) model for molecular spectroscopy. The model is formulated in terms of tensor operators under the molecular point group. In this way, we have identified interactions that are absent in previous versions of the vibron model, in which the Hamiltonian is expressed in terms of Casimir operators and their products. The inclusion of these new interac...
متن کامل