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Scattering resonances in slow NH₃–He collisions

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Gubbels,  Koos
Molecular Physics, Fritz Haber Institute, Max Planck Society;
Radboud University Nijmegen, Institute for Molecules and Materials;

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Meerakker,  Sebastiaan Y. T. van de
Radboud University Nijmegen, Institute for Molecules and Materials;
Molecular Physics, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21859

Meijer,  Gerard
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Fulltext (public)

1111.3539v1.pdf
(Preprint), 601KB

1.3683219.pdf
(Publisher version), 2MB

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Citation

Gubbels, K., Meerakker, S. Y. T. v. d., Groenenboom, G. C., Meijer, G., & van der Avoird, A. (2012). Scattering resonances in slow NH₃–He collisions. Journal of Chemical Physics, 136(7): 074301. doi:10.1063/1.3683219.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0010-1177-3
Abstract
We theoretically study slow collisions of NH₃ 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 10⁻⁴ cm⁻¹ to 130 cm⁻¹, using fully converged quantum close-coupling calculations. To describe the interaction between the NH₃ molecules and the He atoms, we present a four-dimensional potential energy surface, based on an accurate fit of 4180 ab initio points. Prior to collision, we consider the ammonia molecules to be in their antisymmetric umbrella state with angular momentum j = 1 and projection k = 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 = 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 beam