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arXiv:2303.10940 · Physical Review A

Ab initio calculation of the spectrum of Feshbach resonances in NaLi + Na collisions

Tijs Karman, Marcin Gronowski, Michał Tomza, Juliana Park, Hyungmok Son, Yu‐Kun Lu, Alan O. Jamison, Wolfgang Ketterle

Published Aug 14, 2023• 13 citations
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Abstract

We present a combined experimental and theoretical study of the spectrum of magnetically tunable Feshbach resonances in NaLi $({a}^{3}{\mathrm{\ensuremath{\Sigma}}}^{+})\phantom{\rule{4pt}{0ex}}+$ Na collisions. In the accompanying paper, J. J. Park, H. Son, Y.-K. Lu, T. Karman, M. Gronowski, M. Tomza, A. O. Jamison, and W. Ketterle, Phys. Rev. X 13, 031018 (2023), we observe experimentally 8 and 17 resonances occurring between $B=0$ and 1400 G in upper and lower spin-stretched states, respectively. Here, we perform ab initio calculations of the NaLi $+$ Na interaction potential and describe in detail the coupled-channel scattering calculations of the Feshbach resonance spectrum. The positions of the resonances cannot be predicted with realistic uncertainty in the state-of-the-art ab initio potential, but our calculations yield a typical number of resonances that is in near-quantitative agreement with experiment. We show that the main coupling mechanism results from spin-rotation and spin-spin couplings in combination with the anisotropic atom-molecule interaction. The calculations furthermore explain the qualitative difference between the numbers of resonances in either spin state.

DOI
10.1103/physreva.108.023309

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We present a combined experimental and theoretical study of the spectrum of magnetically tunable Feshbach resonances in NaLi (a3\ensuremathΣ+)+({a}^{3}{\mathrm{\ensuremath{\Sigma}}}^{+})\phantom{\rule{4pt}{0ex}}+(a3\ensuremathΣ+)+ Na collisions. In the accompanying paper, J. J. Park, H. Son, Y.-K. Lu, T. Karman, M. Gronowski, M. Tomza, A. O. Jamison, and W. Ketterle, Phys. Rev. X 13, 031018 (2023), we observe experimentally 8 and 17 resonances occurring between B=0B=0B=0 and 1400 G in upper and lower spin-stretched states, respectively. Here, we perform ab initio calculations of the NaLi +++ Na interaction potential and describe in detail the coupled-channel scattering calculations of the Feshbach resonance spectrum. The positions of the resonances cannot be predicted with realistic uncertainty in the state-of-the-art ab initio potential, but our calculations yield a typical number of resonances that is in near-quantitative agreement with experiment. We show that the main coupling mechanism results from spin-rotation and spin-spin couplings in combination with the anisotropic atom-molecule interaction. The calculations furthermore explain the qualitative difference between the numbers of resonances in either spin state.
Collisional resonances of molecules can offer a deeper understanding of interaction potentials and collision complexes, and allow control of chemical reactions.Here, we experimentally map out the spectrum of Feshbach resonances in collisions between ultracold triplet rovibrational ground-state NaLi molecules and Na atoms over a range of 1400 G. Preparation of the spin-stretched state puts the system initially into the nonreactive quartet potential.A total of 25 resonances are observed, in qualitative agreement with quantum-chemistry calculations using a coupled-channels approach.Although the theory cannot predict the positions of resonances, it can account for several experimental findings and provide unprecedented insight into the nature and couplings of ultracold, strongly interacting complexes.Previous work has addressed only weakly bound complexes.We show that the main coupling mechanism results from spin-rotation and spin-spin couplings in combination with the anisotropic atom-molecule interaction, and that the collisional complexes which support the resonances have a size of 30a 0 -40a 0 .This study illustrates the potential of a combined experimental and theoretical approach.
Tunable Feshbach resonances and interaction potentials between 23^{23}23Na and 87^{87}87Rb atoms
We measure the binding energies of weakly bound Feshbach molecules formed between \Na and \Rb atoms in their lowest hyperfine Zeeman levels. We form molecules at the Feshbach resonance near 347.64 G and dissociate them by magnetic field modulation. We use the binding energies to refine the singlet and triplet potential energy curves, using coupled-channel bound-state calculations. We then use coupled-channel scattering calculations on the resulting potentials to produce a high-precision mapping between magnetic field and scattering length. We also observe 10 additional sss-wave Feshbach resonances for \Na and \Rb in different combinations of Zeeman sublevels of the F=1F = 1F=1 hyperfine states. Some of the resonances show 2-body inelastic decay due to spin exchange. We compare the resonance properties with coupled-channel scattering calculations that full take account of inelastic properties.
We theoretically evaluate the feasibility to form magnetically-tunable Feshbach molecules in collisions between fermionic 6 Li atoms and bosonic metastable 174 Yb( 3 P 2 ) atoms. In contrast to the well-studied alkali-metal atom collisions, collisions with meta-stable atoms are highly anisotropic. Our first-principle coupled-channel calculation of these collisions reveals the existence of broad Feshbach resonances due to the combined effect of anisotropic-molecular and atomic–hyperfine interactions. In order to fit our predictions to the specific positions of experimentally-observed broad resonance structures (Dowd et al 2014) we optimized the shape of the short-range potentials by direct least-square fitting. This allowed us to identify the dominant resonance by its leading angular momentum quantum numbers and describe the role of collisional anisotropy in the creation and broadening of this and other resonances.
The susceptibility of ultracold gases to precise manipulation via external fields makes them ideal systems to study fundamental quantum mechanical phenomena. Various regimes, which are not possible to reach in condensed matter or nuclear physics, can be probed with these quantum gases. Especially the tunability of the interactions and confining potentials make that these ultracold gases offer unique possibilities to explore and study universal behavior. The tunability of the dominant two-body interactions in dilute ultracold atomic gases stems from the presence of Feshbach resonances. Via these resonances pairs of ultracold atoms can be associated to form ultracold molecules. In fact, measurements of Feshbach resonance positions can be used to reveal part of the underlying molecular structure. Vica versa, accurate molecular Born-Oppenheimer potentials can be used as input for full numerical coupled-channels calculations to reliably predict Feshbach resonances. For most of the heteronuclear mixtures currently studied however, the relevant molecular potentials are not accurate enough. As the coupled-channels method is often too elaborate and too time consuming to be used to fit the measured data to enable the construction of more accurate potentials, a need for accurate models which complement this established method is created. In this thesis we have developed a simplified model for resonant scattering of two ultracold atoms which fulfills this need. The asymptotic bound-state model (ABM) is a hierarchical model which can be systematically increased in complexity and accuracy. In its most simple form, the ABM only needs two parameters to predict the position and strength of Feshbach resonances: Two binding energies corresponding to the least bound state of the two molecular potentials involved. We demonstrate that this model, although it is solely based on bound states, can incorporate threshold effects. Additionally, the model can be extended to include: Multiple vibrational levels, overlapping resonances, and magnetic dipole-dipole interactions. This versatile model allows for a description of Feshbach resonances in a large variety of systems without accurate knowledge of the relevant molecular Born-Oppenheimer potentials. Being computationally light, the ABM can be used to analyze measurements of Feshbach resonances and hereby expose the basic underlying molecular structure. Additionally, the ABM is well suited to map out all available Feshbach resonances in a system. This ability is particularly useful when an optimal resonance is required for a certain experiment. For the 6Li-40K mixture we have utilized this ability to experimentally observe a strong Feshbach resonance which offers promising perspectives to reach the strongly interacting universal regime in a mass-imbalanced Fermi gas. By analyzing the various inelastic decay processes and the accuracy of the ab initio Born-Oppenheimer potentials, we predict a strong resonance in a mixture of metastable bosonic and fermionic helium atoms. For the homonuclear (bosonic as well as fermionic) helium gas we do not find strong resonances. For an ultracold gas of 40K atoms, an elaborate combined theoretical and experimental effort is presented to map out the Feshbach resonance structure. On the experimental side we observed 36 Feshbach resonances, 31 of which where observed for the first time. These observations are in excellent agreement with coupled-channels calculations which use unmodified Born-Oppenheimer potentials as input. On the theoretical side, we present a comparison between different simplified models of resonance scattering and the full numerical coupled-channels calculations. We have developed the resonant state model (RSM) to describe the resonant scattering of two ultracold atoms. This model is founded on resonant states, the natural (eigen) frequencies of the two-body system, and their non-trivial properties. Threshold effects are implicitly build into the RSM. The RSM can describe the effect of the continuum of scattering states, states which are neglected in the ABM, on the position and strength of a Feshbach resonance by only a few resonant states. Especially when a low-energy resonance is embedded in the continuum of scattering states, the effect of these states on the Feshbach resonance cannot be neglected. The RSM can be viewed as the natural generalization of the ABM. As the RSM can be based on just a few resonant states, it retains the computational simplicity of the ABM. Using the tunability of two-body interactions induced by a Feshbach resonance, we describe a crossover for a rotating Fermi gas between two strongly-correlated many-body states. We demonstrate that the correlation induced long-range interaction will shift the crossover with respect to the non-rotating case.
By applying a magnetic field across a trapped ultracold gas of alkali metal atoms, it is possible to alter the binding energies of near threshold molecular states. The proximity of molecular states to the scattering threshold has a strong effect on the threshold scattering characteristics. Because of this the magnetic field strength can be used to control low energy scattering within the gas. This resonant phenomena is referred to as a magnetically tuneable Feshbach resonance. This thesis looks at these and related phenomena in the context of trapped potassium atoms. First, we perform coupled-channels calculations in order to characterise a group of previously unreported Feshbach resonances, occurring in a host of different collision channels. Next, we compare these characterisations to empirical data, and more simplified models. Second, a detailed investigation into the photodissociation of weakly bound Feshbach molecules is carried out. This allows us to gain new insights into the structure of the exit channel interaction. We make semi-classical arguments which enable experimentalists to directly measure the height of potential barriers. We also perform detailed numerical calculations which, in conjunction with experimental data, allow us to develop a fine-tuned potential model for the exit state. Third, we model weakly bound triatomic states and their impact on near threshold scattering. Then, we discuss the use of three body recombination as a tool for observing Efimov states. Furthermore, we model the three body recombination rate using a simplified two channel model. Finally we suggest a method intended to provide the basis for numerical calculations using realistic Born-Oppenheimer potentials. It could also be used to analytically study near threshold three body physics.
We investigate the presence of Feshbach resonances in ultracold alkali-dialkali reactive collisions. A potential-energy surface of Na3{\text{Na}}_{3}Na3​ in the lowest quartet state is constructed and used in quantum scattering calculations. An analysis of scattering features is performed through a systematic variation in the nonadditive three-body interaction potential. Our results should provide useful information for interpreting future atom-molecule collision experiments.