A Global Algebraic Treatment for XY2 Molecules : Application to D2S
Abstract
We suggest to use for molecules some results previously established in a series of articles for vibrational modes and electronic states with an symmetry type. We first summarize the formalism for the standard chain which, for its most part, can be kept for the study of both stretching and bending modes of molecules. Next the also standard chain which is necessary, within the considered approach, is introduced for the stretching modes. All operators acting within the irreducible representation (\textit{irrep}) of are built and their matrix elements computed within the standard basis. All stretch-bend interaction operators taking into account the polyad structure associated with a resonance are obtained. As an illustration, an application to the molecular system is considered, especially the symmetrization in . It is shown that our unitary formalism allows to reproduce in an extremely satisfactory way all the experimental data up to the dissociation limit.
Keywords
Cite
@article{arxiv.0812.1211,
title = {A Global Algebraic Treatment for XY2 Molecules : Application to D2S},
author = {O. V. Gromova and F. Michelot and C. Leroy and O. N. Ulenikov and Y. Pashayan-Leroy and E. S. Bekhtereva},
journal= {arXiv preprint arXiv:0812.1211},
year = {2008}
}
Comments
22 pages, 3 tables