Cold collisions between OH and Rb: The field-free case

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Manuel Lara,¹ John L. Bohn,² Daniel E. Potter,³ Pavel Soldán,⁴ and Jeremy M. Hutson³
¹JILA, University of Colorado, Boulder, Colorado 80309-0440, USA
²JILA and Department of Physics, University of Colorado, Boulder, Colorado 80309-0440, USA
³Department of Chemistry, University of Durham, Durham DH1 3LE, United Kingdom
⁴Doppler Institute, Department of Physics, Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, Behová 7, 115 19 Praha 1, Czech Republic

Received 18 August 2006; published 5 January 2007

Wehave calculated elastic and state-resolved inelastic cross sections for coldand ultracold collisions in the Rb(¹S)+OH(²_3/2) system, including fine-structure andhyperfine effects. We have developed a set of five potentialenergy surfaces for Rb-OH(²) from high-level ab initio electronic structurecalculations, which exhibit conical intersections between covalent and ion-pair states.The surfaces are transformed to a quasidiabatic representation. The collisionproblem is expanded in a set of channels suitable forhandling the system in the presence of electric and/or magneticfields, although we consider the zero-field limit in this work.Because of the large number of scattering channels involved, wepropose and make use of suitable approximations. To account forthe hyperfine structure of both collision partners in the short-rangeregion we develop a frame-transformation procedure which includes most ofthe hyperfine Hamiltonian. Scattering cross sections on the order of10⁻¹³ cm² are predicted for temperatures typical of Stark decelerators. Weconclude that spin orientation of the partners is completely disruptedduring the collision. Implications for both sympathetic cooling of OHmolecules in an environment of ultracold Rb atoms and experimentalobservability of the collisions are discussed.

URL:	http://link.aps.org/doi/10.1103/PhysRevA.75.012704
DOI:	10.1103/PhysRevA.75.012704
PACS:	34.20.Mq; 34.50.-s; 33.80.Ps 34.20.Mq Potential energy surfaces for collisions (atoms and molecules) 34.50.-s Scattering of atoms and molecules 33.80.Ps Optical cooling of molecules; trapping YEAR: 2007
KEYWORDS:	rubidium, oxygen compounds, potential energy surfaces, ab initio calculations, atom-molecule collisions, fine structure, hyperfine structure

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