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Resonances in rotationally inelastic scattering of NH3 and ND3 with H2

par Ma, Q;Van der Avoird, Ad;Loreau, Jérôme ;Alexander, M.H.;Van de Meerakker, S.Y.T.;Dagdigian, P.J.
Référence The Journal of Chemical Physics, 143, 044312
Publication Publié, 2015

Article révisé par les pairs

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Résumé :

We present theoretical studies on the scattering resonances in rotationally inelastic collisions of NH3 and ND3 molecules with H2 molecules. We use the quantum close-coupling method to compute state-to-state integral and differential cross sections for the NH3/ND3-H2 system for collision energies between 5 and 70 cm-1, using a previously reported potential energy surface [Maret et al., Mon. Not. R. Astron. Soc. 399, 425 (2009)]. We identify the resonances as shape or Feshbach resonances. To analyze these, we use an adiabatic bender model, as well as examination at the scattering wave functions and lifetimes. The strength and width of the resonance peaks suggest that they could be observed in a crossed molecular beam experiment involving a Stark-decelerated NH3 beam.