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تسجيل مستخدم جديدA Global Algebraic Treatment for XY2 Molecules : Application to D2S
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We suggest to use for $XY_2$ molecules some results previously established in a series of articles for vibrational modes and electronic states with an $E$ symmetry type. We first summarize the formalism for the standard $u(2)supset su(2)supset so(2)$ chain which, for its most part, can be kept for the study of both stretching and bending modes of $XY_2$ molecules. Next the also standard chain $u(3)supset u(2) supset su(2) supset so(2)$ which is necessary, within the considered approach, is introduced for the stretching modes. All operators acting within the irreducible representation (textit{irrep}) $[N00]equiv [Ndot{0}]$ of $u(3)$ 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 $omega_1approx omega_3 approx 2 omega_2$ are obtained. As an illustration, an application to the $D_2S$ molecular system is considered, especially the symmetrization in $C_{2v}$. It is shown that our unitary formalism allows to reproduce in an extremely satisfactory way all the experimental data up to the dissociation limit.
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