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APS

Ultracold collisions of spin-polarized SrF( 2 Σ + ) molecules with Rb( 2 S) atoms in an external magnetic field

Masato Morita, Maciej B. Kosicki, Piotr Szymon Żuchowski, Timur V. Tscherbul

Published May 1, 2018• 0 citations
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Ultracold collisions of spin-polarized SrF$(^2\Sigma^+)$ molecules with Rb($^2\mathrm{S}$) atoms in an external magnetic field

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Bulletin of the American Physical Society•May 29, 2018•0 citations

Atom-molecule collisions, spin relaxation, and sympathetic cooling in an ultracold spin-polarized Rb(S2)−SrF(Σ+2) mixture

Masato Morita, Maciej B. Kosicki, Piotr Szymon Żuchowski +1 more

We explore the suitability of ultracold collisions between spin-polarized $\mathrm{SrF}(^{2}\mathrm{\ensuremath{\Sigma}}^{+})$ molecules and $\mathrm{Rb}(^{2}S)$ atoms as elementary steps for the sympathetic cooling of $\mathrm{SrF}(^{2}\mathrm{\ensuremath{\Sigma}}^{+})$ molecules in a magnetic trap. To this end, we carry out quantum-mechanical scattering calculations on ultracold Rb + SrF collisions in a magnetic field based on an accurate potential-energy surface for the triplet electronic state of Rb-SrF developed ab initio using a spin-restricted coupled cluster method with single, double, and noniterative triple excitations [RCCSD(T)]. The Rb-SrF interaction has a global minimum with a well depth of 3444 ${\mathrm{cm}}^{\ensuremath{-}1}$ in a bent geometry and a shallow local minimum in the linear geometry. Despite such a strong and anisotropic interaction, we find that converged close-coupling scattering calculations on Rb + SrF collisions in a magnetic field are still possible using rotational basis sets including up to 125 closed rotational channels in the total angular momentum representation. Our calculations show that electronic spin relaxation in fully spin-polarized Rb-SrF collisions occurs much more slowly than elastic scattering over a wide range of magnetic fields (1--1000 G) and collision energies (${10}^{\ensuremath{-}5}--{10}^{\ensuremath{-}3}$ K), suggesting good prospects of sympathetic cooling into the microkelvin regime of laser-cooled $\mathrm{SrF}(^{2}\mathrm{\ensuremath{\Sigma}}^{+})$ molecules with spin-polarized $\mathrm{Rb}(^{2}S)$ atoms in a magnetic trap. We show that incoming $p$-wave scattering plays a significant role in ultracold collisions due to the large reduced mass of the Rb-SrF collision pair. The calculated magnetic-field dependence of the inelastic cross sections at $1.4\phantom{\rule{0.28em}{0ex}}\ensuremath{\mu}\mathrm{K}$ displays a rich resonance structure including a low-field $p$-wave resonance, which suggests that external magnetic fields can be used to enhance the efficiency of sympathetic cooling in heavy atom-molecule mixtures.

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The authors present quantum scattering calculations on magnetic Feshbach resonances (MFRs) in ultracold atom-molecule collisions. The calculations predict a wealth of experimentally detectable MFRs in Rb-SrF collisions and uncover new MFRs due to the intramolecular spin-rotation interaction. These results open up the possibility of unbiased theoretical simulations on MFRs in ultracold atom-molecule collisions with realistic interactions.

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Ultracold collisions of spin-polarized SrF(2Σ+)(^2\Sigma^+)(2Σ+) molecules with Rb(2S^2\mathrm{S}2S) atoms in an external magnetic field
We explore the suitability of ultracold collisions between spin-polarized $\mathrm{SrF}(^{2}\mathrm{\ensuremath{\Sigma}}^{+})$ molecules and Rb(2S)\mathrm{Rb}(^{2}S)Rb(2S) atoms as elementary steps for the sympathetic cooling of $\mathrm{SrF}(^{2}\mathrm{\ensuremath{\Sigma}}^{+})$ molecules in a magnetic trap. To this end, we carry out quantum-mechanical scattering calculations on ultracold Rb + SrF collisions in a magnetic field based on an accurate potential-energy surface for the triplet electronic state of Rb-SrF developed ab initio using a spin-restricted coupled cluster method with single, double, and noniterative triple excitations [RCCSD(T)]. The Rb-SrF interaction has a global minimum with a well depth of 3444 ${\mathrm{cm}}^{\ensuremath{-}1}$ in a bent geometry and a shallow local minimum in the linear geometry. Despite such a strong and anisotropic interaction, we find that converged close-coupling scattering calculations on Rb + SrF collisions in a magnetic field are still possible using rotational basis sets including up to 125 closed rotational channels in the total angular momentum representation. Our calculations show that electronic spin relaxation in fully spin-polarized Rb-SrF collisions occurs much more slowly than elastic scattering over a wide range of magnetic fields (1--1000 G) and collision energies (${10}^{\ensuremath{-}5}--{10}^{\ensuremath{-}3}$ K), suggesting good prospects of sympathetic cooling into the microkelvin regime of laser-cooled $\mathrm{SrF}(^{2}\mathrm{\ensuremath{\Sigma}}^{+})$ molecules with spin-polarized Rb(2S)\mathrm{Rb}(^{2}S)Rb(2S) atoms in a magnetic trap. We show that incoming ppp-wave scattering plays a significant role in ultracold collisions due to the large reduced mass of the Rb-SrF collision pair. The calculated magnetic-field dependence of the inelastic cross sections at $1.4\phantom{\rule{0.28em}{0ex}}\ensuremath{\mu}\mathrm{K}$ displays a rich resonance structure including a low-field ppp-wave resonance, which suggests that external magnetic fields can be used to enhance the efficiency of sympathetic cooling in heavy atom-molecule mixtures.