English

Scattering resonances in slow NH${}_3$-He collisions

Chemical Physics 2015-06-03 v2

Abstract

We theoretically study slow collisions of NH3_3 molecules with He atoms, where we focus in particular on the observation of scattering resonances. We calculate state-to-state integral and differential cross sections for collision energies ranging from 104{}^{-4} cm1^{-1} to 130 cm1^{-1}, using fully converged quantum close-coupling calculations. To describe the interaction between the NH3{}_3 molecules and the He atoms, we present a four-dimensional potential energy surface, based on an accurate fit of 4180 {\it ab initio} points. Prior to collision, we consider the ammonia molecules to be in their antisymmetric umbrella state with angular momentum j=1j=1 and projection k=1k=1, which is a suitable state for Stark deceleration. We find pronounced shape and Feshbach resonances, especially for inelastic collisions into the symmetric umbrella state with j=k=1j=k=1. We analyze the observed resonant structures in detail by looking at scattering wavefunctions, phase shifts, and lifetimes. Finally, we discuss the prospects for observing the predicted scattering resonances in future crossed molecular beam experiments with a Stark-decelerated NH3_3 beam.

Keywords

Cite

@article{arxiv.1111.3539,
  title  = {Scattering resonances in slow NH${}_3$-He collisions},
  author = {Koos B. Gubbels and Sebastiaan Y. T. van de Meerakker and Gerrit C. Groenenboom and Gerard Meijer and Ad van der Avoird},
  journal= {arXiv preprint arXiv:1111.3539},
  year   = {2015}
}

Comments

17 pages, 12 figures