Abstract We discuss the trapping of heteronuclear diatomic molecules prepared in their electronic and vibrational ground states. We tune and shape the trapping potential for bosonic polar molecules in superpositions of rotational states by dressing rotational excitations with a static sextupole electric field. The translational motion of a molecule is treated classically. We examine the Hamiltonian which governs the center of mass dynamics. The effective potential has a global minimum that provides the trapping ability of this trap. The first term of its Taylor series expansion, corresponding to the quadratic Stark shifts, results in the integrable potential. In terms of cylindrical coordinates the center of mass Hamiltonian splits into axial and radial parts. Corresponding trajectories are parameterized by elliptic functions. At low electric fields, the non-approximated Hamiltonian is treated as a small perturbation of the mentioned integrable system described by Kolmogorov–Arnold–Moser theory. The applicability of this approximation is discussed and illustrated using the Poincaré cross-section method. We present results of numerical simulations illustrating the trapping and confinement of a polar molecule in the trap.
Abstract We discuss the trapping of heteronuclear diatomic molecules prepared in their electronic and vibrational ground states. We tune and shape the trapping potential for bosonic polar molecules in superpositions of rotational states by dressing rotational excitations with a static sextupole electric field. The translational motion of a molecule is treated classically. We examine the Hamiltonian which governs the center of mass dynamics. The effective potential has a global minimum that provides the trapping ability of this trap. The first term of its Taylor series expansion, corresponding to the quadratic Stark shifts, results in the integrable potential. In terms of cylindrical coordinates the center of mass Hamiltonian splits into axial and radial parts. Corresponding trajectories are parameterized by elliptic functions. At low electric fields, the non-approximated Hamiltonian is treated as a small perturbation of the mentioned integrable system described by Kolmogorov–Arnold–Moser theory. The applicability of this approximation is discussed and illustrated using the Poincaré cross-section method. We present results of numerical simulations illustrating the trapping and confinement of a polar molecule in the trap.
We study the translational motions of homonuclear diatomic molecules prepared in their 3Σ electronic states, deeply bound vibrational states, and rotational states of well-defined parity. The trapping potential arises due to the interaction of the total spin of electrons and orbital angular momentum of nuclei with the trap's quadrupole magnetic field. The translational motion of a molecule is treated classically. We examine the Hamilton equations that govern the center-of-mass dynamics both numerically and analytically. Using data of a hydrogen molecule at the ground vibrational state, we present global dynamics using the Poincaré section method and various types of trajectories: periodic, quasiperiodic, and chaotic. We prove that the Hamiltonian system governing this motion is non-integrable. The particle's orbits are confined to a bound region of space that grows with energy, but for small energies (<1.8 K), the motion is restricted to a processing chamber (a few centimeters). Solutions of equations of motion occurring on the symmetry axis and the horizontal plane are expressed in terms of Jacobi elliptic functions.
We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical and the other where the center-of-mass motion is treated classically, while rotational motion is quantized. We study the rotational dynamics and their influence on the motion of the center-of-mass, in the presence of the coupling between the permanent dipole moment of the ion and the trapping electric field. We show that the presence of the permanent dipole moment affects the trajectory of the ion and that it departs from the Mathieu equation solution found for atomic ions. For the case of quantum rotations, we also evidence the effect of the above-mentioned coupling on the rotational states of the ion.
This thesis explores the dynamics of a heteronuclear diatomic molecular ion, possessing a permanent electric dipole moment, µ, which is trapped in a linear Paul trap and can interact with an off-resonance laser field. To build our model we use the rigid-rotor approximation, where the dynamics of the molecular ion are limited to its translational and rotational motions of the center-of-mass. These dynamics are investigated by carrying out suitable numerical calculations. To introduce our numerical methods, we divide our research topic into two different subjects. First, we ignore the rotational dynamics of the ion by assuming µ = 0. By this assumption, the system resembles an atomic ion, which mainly exhibits translational motion for its center of the mass when exposed to an external trapping field. To study this translational behavior, we implement full-quantum numerical simulations, in which a wave function is attributed to the ion. Finally, we study the quantum dynamics of the mentioned wave packet and we compare our results with those obtained classically. In the latter case, we keep the permanent dipole moment of the ion and we study the probable effects of the interaction between the dipole moment and the trapping electric field, on both the translational and the rotational dynamics of the trapped molecular ion. In order to study these dynamics, we implement both classical and semi-classical numerical simulations. In the classical method, the rotational and the translational motions of the center of mass of the ion are obtained via classical equations of motion. On the other hand, in the semi-classical method, while the translational motion of the center-of-mass is still obtained classically, the rotation is treated full-quantum mechanically by considering the rotational wave function of the ion. In the semi-classical approach, we mainly study the probable couplings between the rotational states of the molecular ion, due to the interaction of the permanent dipole moment with the trapping electric field. In the end, we also present a semi-classical model, where the trapped molecular ion interacts with an off-resonance laser field.
We explore the quantum dynamics of heteronuclear atomic collisions in waveguides and demonstrate the existence of a novel mechanism for the resonant formation of polar molecules. The molecular formation probabilities can be tuned by changing the trap frequencies that characterize the transverse modes of the atomic species. The origin of this effect is the confinement-induced mixing of the relative and center of mass motions in the atomic collision process leading to a coupling of the diatomic continuum to the center of mass excited molecular states in closed transverse channels.
Selection of state-insensitive or ``magic'' trapping conditions with ultracold atoms or molecules, where pairs of internal states experience identical trapping potentials, brings substantial benefits to precision measurements and quantum computing schemes. Working at such conditions could ensure that the detrimental effects of inevitable inhomogeneities across an ultracold sample are significantly reduced. However, this aspect of confinement remains unexplored for ultracold polar molecules. Here, we present means to control the ac Stark shift of rotational states of ultracold diatomic polar molecules, when subjected to both trapping laser light and an external electric field. We show that both the strength and relative orientation of the two fields influence the trapping potential. In particular, we predict ``magic electric field strengths'' and a ``magic angle,'' where the Stark shift is independent of the dc external field for certain rotational states of the molecule.
We discuss techniques to tune and shape the long-range part of the interaction potentials in quantum gases of bosonic polar molecules by dressing rotational excitations with static and microwave fields. This provides a novel tool towards engineering strongly correlated quantum phases in combination with low-dimensional trapping geometries. As an illustration, we discuss the 2D superfluid-crystal quantum phase transition for polar molecules interacting via an electric-field-induced dipole-dipole potential.