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arXiv:0707.4397

Ultracold collisions in magnetic fields: reducing inelastic cross sections near Feshbach resonances

R. Adam Rowlands, Maykel Leonardo González-Martínez, Hutson, Jeremy M.

Published Jul 30, 2007• 1 citation
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Abstract

We have carried out bound-state and low-energy quantum scattering calculations on He + NH (triplet Sigma) in magnetic fields, with the NH molecule in its n=1 rotationally excited states. We have explored the pattern of levels as a function of magnetic field and identified the nearly good quantum numbers in different regimes. We have used the bound-state calculations to locate low-energy Feshbach resonances. When the magnetic field is used to tune across such a resonance, the real and imaginary part of the scattering length show asymmetric oscillations and peaks with amplitude between 1 and 3 Angstroms. The scattering length does not pass through a pole at resonance. The resonant behavior is characterized by a complex resonant scattering length a_res. The corresponding inelastic cross sections show troughs as well as peaks near resonance. This may be important for efforts to achieve evaporative and sympathetic cooling for molecules, because it offers the hope that inelastic trap losses can be reduced by tuning close to a Feshbach resonance.

DOI
10.48550/arxiv.0707.4397

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We have carried out bound-state and low-energy quantum scattering calculations on He + NH (triplet Sigma) in magnetic fields, with the NH molecule in its n=1 rotationally excited states. We have explored the pattern of levels as a function of magnetic field and identified the nearly good quantum numbers in different regimes. We have used the bound-state calculations to locate low-energy Feshbach resonances. When the magnetic field is used to tune across such a resonance, the real and imaginary part of the scattering length show asymmetric oscillations and peaks with amplitude between 1 and 3 Angstroms. The scattering length does not pass through a pole at resonance. The resonant behavior is characterized by a complex resonant scattering length a_res. The corresponding inelastic cross sections show troughs as well as peaks near resonance. This may be important for efforts to achieve evaporative and sympathetic cooling for molecules, because it offers the hope that inelastic trap losses can be reduced by tuning close to a Feshbach resonance.
We have generalized the BOUND and MOLSCAT packages to allow calculations in basis sets where the monomer Hamiltonians are off diagonal and used this capability to carry out bound-state and scattering calculations on $^{3}\mathrm{He}\text{\ensuremath{-}}\mathrm{NH}$ and $^{4}\mathrm{He}\text{\ensuremath{-}}\mathrm{NH}$ as a function of magnetic field. Following the bound-state energies to the point where they cross thresholds gives very precise predictions of the magnetic fields at which zero-energy Feshbach resonances occur. We have used this to locate and characterize two very narrow Feshbach resonances in $^{3}\mathrm{He}\text{\ensuremath{-}}\mathrm{NH}$. Such resonances can be used to tune elastic and inelastic collision cross sections, and sweeping the magnetic field across them will allow a form of quantum control in which separated atoms and molecules are associated to form complexes. For the first resonance, where only elastic scattering is possible, the scattering length shows a pole as a function of magnetic field and there is a very large peak in the elastic cross section. For the second resonance, however, inelastic scattering is also possible. In this case the pole in the scattering length is dramatically suppressed and the cross sections show relatively small peaks. The peak suppression is expected to be even larger in systems with stronger inelasticity. The results suggest that calculations on ultracold molecular inelastic collisions may be much less sensitive to details of the potential energy surface than has been believed.
In this work we investigate the potential of controlling cold (O(K)−mK) and ultracold (mK-μK) atom-molecule collisions by tuning scattering states across Feshbach resonances using magnetic fields. We are interested in particular in the prospect of suppressing the often undesirable inelastic collisions. The He-O_2 system provides the vehicle for our study. We calculate bound and quasi-bound states of several isotopic combinations, including their Zeeman structure, to reveal the underlaying pattern for easier characterization of quasi-bound states in terms of rigorous and approximately good quantum numbers. These calculations also help us locate the fields at which zero-energy resonances will occur. Scattering calculations are then performed for collisions of 3^He and 4^He with {16}^O_2 at fixed (1 μK) energy but varying magnetic field. The field is varied to sweep the scattering state across resonance. At low and ultralow energies we enter the Wigner threshold regime where the S-partial wave dominates the wavefunction. The cross sections, and the real and imaginary parts of the scattering length, vary dramatically across resonance. Their profiles are used to analyze the resonances. In a highlight of our results we show that dramatic suppression of inelastic cross sections occur for 4^He-{16}^O_2 . The resonances are relatively wide (of order 100 Gauss), with suppression of inelastic scattering over a similarly wide range of fields and for temperatures ranging from 10 mK down to 1 μK. We conclude that under certain conditions it is possible to almost completely eliminate inelastic collisions. This is potentially very important for cooling techniques, such as evaporative and sympathetic cooling, that require efficient elastic cross sections. Suppression of inelastic collisions can not only increase thermalization efficiency but it can also result in longer trap-lifetimes by reducing transitions to untrapable states.
We present an accurate quantum mechanical study of molecule–molecule collisions in the presence of a magnetic field. The work focuses on the analysis of elastic scattering and spin relaxation in collisions of O 2 ( 3 Σ g – ) molecules at cold (∼0.1 K) and ultracold (∼10 –6 K) temperatures. Our calculations show that magnetic spin relaxation in molecule–molecule collisions is extremely efficient except at magnetic fields below 1 mT. The rate constant for spin relaxation at T =0.1 K and a magnetic field of 0.1 T is found to be as large as 6.1 × 10 –11 cm –3 s –1 . The magnetic field dependence of elastic and inelastic scattering cross sections at ultracold temperatures is dominated by a manifold of Feshbach resonances with the density of ∼100 resonances per Tesla for collisions of molecules in the absolute ground state. This suggests that the scattering length of ultracold molecules in the absolute ground state can be effectively tuned in a very wide range of magnetic fields. Our calculations demonstrate that the number and properties of the magnetic Feshbach resonances are dramatically different for molecules in the absolute ground and excited spin states. The density of Feshbach resonances for molecule–molecule scattering in the low-field-seeking Zeeman state is reduced by a factor of 10.
In the absence of inelastic scattering, Feshbach resonances produce poles in scattering lengths and very large peaks in elastic cross-sections. However, inelastic scattering removes the poles. Whenever the resonant state is coupled comparably to the elastic and inelastic channels, the scattering length exhibits only a small oscillation and peaks in cross-sections are significantly suppressed. A resonant scattering length is defined to characterize the amplitude of the oscillation, and is shown to be small for many collisions of ultracold molecules. The results suggest that cross-sections for some ultracold collision processes will be much less sensitive to details of the potential than has been expected.
We carry out quantum inelastic scattering calculations of collisions of Rb atoms with inverting NH3{\text{NH}}_{3}NH3​ and ND3{\text{ND}}_{3}ND3​ molecules in the energy range between 0 and $100\text{ }{\text{cm}}^{\ensuremath{-}1}$, which are important for experiments using velocity-controlled molecular beams to probe scattering resonances. We focus on molecules initially in the upper level of the ammonia inversion doublet for j=1j=1j=1, k=1k=1k=1, which is low-field seeking and can be controlled in a Stark decelerator. We calculate the integral elastic and state-to-state inelastic cross sections in the coupled-states approximation. We demonstrate the presence of both shape and Feshbach resonances in the elastic and inelastic cross sections at low collision energies and discuss their origin in terms of the bound states of the Rb-ND3{\text{ND}}_{3}ND3​ complex. We also consider elastic and inelastic cross sections in the ultracold regime, using close-coupling calculations, in order to assess the viability of sympathetic cooling of ND3{\text{ND}}_{3}ND3​ by Rb. The inelastic cross section for relaxation to the lower level of the inversion doublet is smaller than expected for such a strongly coupled system but is still likely to be too large to allow sympathetic cooling for ND3{\text{ND}}_{3}ND3​ in low-field-seeking states. However, there is a good prospect that sympathetic cooling will be possible for molecules in high-field-seeking states even when the collision partner is a magnetically trapped atom in a low-field-seeking state.