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arXiv:2506.15804 · Physical Review A

Ultracold collisions of a neutral atom with a trapped ion in one dimension

Seth T. Rittenhouse, Lorenzo Oghittu, Arghavan Safavi-Naini, R. Gerritsma, Angela Graf, Nirav P. Mehta

Published Jul 25, 2025• 2 citations
arXivHTMLPDF

Abstract

We present a fully quantum mechanical description of a free $^{6}\mathrm{Li}$ atom scattering from a trapped $^{171}\mathrm{Yb}^{+}$ ion in one dimension. By reformulating the system in polar coordinates and employing the adiabatic representation, we extract a set of coupled adiabatic potentials representing the atom interacting with the ion in different trap states. In an approach similar to quantum defect theory, we leverage the vast difference in energy scale between the interaction, the trap, and the scattering energy to encapsulate the short-range atom-ion scattering behavior in a single phase parameter. The presence of trapped ${(^{171}\mathrm{Yb}^{6}\mathrm{Li})}^{+}$ molecular-ion states leads to a series of roughly evenly spaced resonances in the scattering cross section. The predicted distribution of resonances at low collision energies is at odds with the expectation of quantum chaos and the Bohigas-Giannoni-Schmit conjecture.

DOI
10.1103/jgz3-xrvc

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We present a fully quantum mechanical description of a free 6Li^{6}\mathrm{Li}6Li atom scattering from a trapped 171Yb+^{171}\mathrm{Yb}^{+}171Yb+ ion in one dimension. By reformulating the system in polar coordinates and employing the adiabatic representation, we extract a set of coupled adiabatic potentials representing the atom interacting with the ion in different trap states. In an approach similar to quantum defect theory, we leverage the vast difference in energy scale between the interaction, the trap, and the scattering energy to encapsulate the short-range atom-ion scattering behavior in a single phase parameter. The presence of trapped (171Yb6Li)+{(^{171}\mathrm{Yb}^{6}\mathrm{Li})}^{+}(171Yb6Li)+ molecular-ion states leads to a series of roughly evenly spaced resonances in the scattering cross section. The predicted distribution of resonances at low collision energies is at odds with the expectation of quantum chaos and the Bohigas-Giannoni-Schmit conjecture.
We consider a system composed of a trapped atom and a trapped ion. The ion charge induces in the atom an electric dipole moment, which attracts it with an ${r}^{\ensuremath{-}4}$ dependence at large distances. In the regime considered here, the characteristic range of the atom-ion interaction is comparable or larger than the characteristic size of the trapping potential, which excludes the application of the contact pseudopotential. The short-range part of the interaction is described in the framework of quantum-defect theory, by introducing some short-range parameters, which can be related to the sss-wave scattering length. When the separation between traps is changed we observe trap-induced shape resonances between molecular bound states and vibrational states of the external trapping potential. Our analysis is extended to quasi-one-dimensional geometries, when the scattering exhibit confinement-induced resonances, similar to the ones studied before for short-range interactions. For quasi-one-dimensional systems we investigate the effects of coupling between the center of mass and relative motion, which occurs for different trapping frequencies of atom and ion traps. Finally, we show how the two types of resonances can be employed for quantum state control and spectroscopy of atom-ion molecules.
We introduce a model to study the collisions of two ultracold diatomic molecules in one dimension interacting via pairwise potentials. We present results for this system and argue that it offers lessons for real molecular collisions in three dimensions. We analyze the distribution of the adiabatic potentials in the hyperspherical coordinate representation as well as the distribution of near-threshold four-body bound states, systematically studying the effects of molecular properties, such as interaction strength, interaction range, and atomic mass. It is found that the adiabatic potential's nearest-neighbor energy level distribution transitions from significant level repulsion characteristic of chaos (Brody distribution) to nonchaotic (Poisson distribution) as the two molecules are separated. For the near-threshold four-atom bound states, the case where all atoms have equal masses shows a Poissonian spacing distribution, while the unequal-mass system exhibits significant level repulsion characterized by a nonzero Brody parameter. We derive a semiclassical formula for the density of states and extract from it simple scaling laws with potential depth and range. We find good agreement between the semiclassical predictions for the density of states and the full quantum mechanical calculations.
Abstract we report on signatures of classical chaos in ultracold collisions between a trapped ion and a free atom. Using numerical simulations, we show that the scattering dynamics can be highly sensitive to initial conditions for various mass ratios and trapping frequencies, indicating the onset of chaos. We quantify this chaotic dynamics by calculating its fractal dimension. We show that for a trapped 88 Sr + ion and a free 87 Rb atom chaotic dynamic appears under experimentally relevant conditions, and find its characteristic energy scale. The observation of classical chaos in atom-trapped-ion collisions suggests that signatures of quantum chaos might appear, for example, through a Wigner–Dyson distribution of collisional resonances.
In order to study ultracold charge-transfer processes in hybrid atom-ion traps, we have mapped out the potential-energy curves and molecular parameters for several low-lying states of the Rb, Yb+{}^{+}+ system. We employ both a multireference configuration interaction and a full configuration interaction (FCI) approach. Turning points, crossing points, potential minima, and spectroscopic molecular constants are obtained for the lowest five molecular states. Long-range parameters, including the dispersion coefficients, are estimated from our ab initio data. The separated-atom ionization potentials and atomic polarizability of the ytterbium atom (${\ensuremath{\alpha}}_{d}=128.4$ atomic units) are in good agreement with experiment and previous calculations. We present some dynamical calculations for (adiabatic) scattering lengths for the two lowest (Yb, Rb+{}^{+}+) channels that were carried out in our work. However, we find that the pseudopotential approximation is rather limited in validity and only applies to nK temperatures. The adiabatic scattering lengths for both the triplet and singlet channels indicate that both are large and negative in the FCI approximation.
Abstract Experiments in which ultra-cold neutral atoms and charged ions are overlapped, constitute a new field in atomic and molecular physics, with applications ranging from studying out-of-equilibrium dynamics to simulating quantum many-body systems. The holy grail of ion-neutral systems is reaching the quantum low-energy scattering regime, known as the s-wave scattering. However, in most atom–ion systems, there is a fundamental limit that prohibits reaching this regime. This limit arises from the time-dependent trapping potential of the ion, the Paul trap, which sets a lower collision energy limit which is higher than the s-wave energy. In this work, we studied both theoretically and experimentally, the way the Paul trap parameters affect the energy distribution of an ion that is immersed in a bath of ultra-cold atoms. Heating rates and energy distributions of the ion are calculated for various trap parameters by a molecular dynamics (MD) simulation that takes into account the attractive atom–ion potential. The deviation of the energy distribution from a thermal one is discussed. Using the MD simulation, the heating dynamics for different atom–ion combinations is also investigated. In addition, we performed measurements of the heating rates of a ground-state cooled 88Sr+ ion that is immersed in an ultra-cold cloud of 87Rb atoms, over a wide range of trap parameters, and compare our results to the MD simulation. Both the simulation and the experiment reveal no significant change in the heating for different parameters of the trap. However, in the experiment a slightly higher global heating is observed, relative to the simulation.
Ultracold collisions of ions with neutral atoms in traps are studied. Recently, ultracold atom-ion systems have become available in experimental setups, where their quantum states can be coherently controlled. This control allows for an implementation of quantum information processing, combining the advantages of charged and neutral particles. The state-dependent dynamics that is a necessary ingredient for quantum computation schemes is provided in this case by the short-range interaction forces that depend on the hyperfine states of both particles. In this work, a theoretical description of spin-state-dependent trapped atom-ion collisions is developed in the framework of a multichannel quantum-defect theory and an effective single-channel model is formulated that reduces the complexity of the problem. Based on this description, a two-qubit phase gate between a 135Ba^{135}\mathrm{Ba}135Ba+{}^{+}+ ion and a 87Rb^{87}\mathrm{Rb}87Rb atom is simulated using a realistic combination of the singlet and triplet scattering lengths. The gate process is optimized and accelerated with the help of optimal control techniques. The result is a gate fidelity of $1\ensuremath{-}{10}^{\ensuremath{-}3}$ within 350350350 $\ensuremath{\mu}$s.