A Global Algebraic Treatment for XY2 Molecules : Application to D2S

Details A Global Algebraic Treatment for XY2 Molecules : Application to D2S A Global Algebraic Treatment for XY2 Molecules : Application to D2S

2008-12-05

arxiv.org/abs/0812.1211v1

Physics

Chemical Physics

22 pages, 3 tables

Scientific paper

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}) $[N00]\equiv [N\dot{0}]$ 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 $\omega_1\approx \omega_3 \approx 2 \omega_2$ 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.

Affiliated with

Also associated with

No associations

Rating

A Global Algebraic Treatment for XY2 Molecules : Application to D2S does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with A Global Algebraic Treatment for XY2 Molecules : Application to D2S, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A Global Algebraic Treatment for XY2 Molecules : Application to D2S will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-719390