A Global Algebraic Treatment for XY2 Molecules : Application to D2S

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dc.creatorGromova, O. V.
dc.creatorMichelot, F.
dc.creatorLeroy, C.
dc.creatorUlenikov, O. N.
dc.creatorPashayan-Leroy, Y.
dc.creatorBekhtereva, E. S.
dc.date2008-12-05
dc.date.accessioned2026-07-07T12:09:50Z
dc.date.available2026-07-07T12:09:50Z
dc.descriptionWe 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}) $[N00]\equiv [N\dot{0}]$ 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 $ω_1\approx ω_3 \approx 2 ω_2$ 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.
dc.description22 pages, 3 tables
dc.identifierhttps://arxiv.org/abs/0812.1211
dc.identifierhttp://arxiv.org/abs/0812.1211
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/209764
dc.subjectChemical Physics
dc.titleA Global Algebraic Treatment for XY2 Molecules : Application to D2S
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