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Register a new userWave-packet dynamics of an atomic ion in a Paul trap: approximations and stability
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Using numerical simulations of the time-dependent Schrodinger equation, we study the full quantum dynamics of the motion of an atomic ion in a linear Paul trap. Such a trap is based on a time-varying, periodic electric field, and hence corresponds to a time-dependent potential for the ion, which we model exactly. We compare the center of mass motion with that obtained from classical equations of motion, as well as to results based on a time-independent effective potential. We also study the oscillations of the width of the ions wave packet, including close to the border between stable (bounded) and unstable (unbounded) trajectories. Our results confirm that the center-of-mass motion always follow the classical trajectory, that the width of the wave packet is bounded for trapping within the stability region, and therefore that the classical trapping criterion are fully applicable to quantum motion.
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We study the quantum stability of the dynamics of ions in a Paul trap. We revisit the results of Wang et al. [Phys. Rev. A 52, 1419 (1995)], which showed that quantum trajectories did not have the same region of stability as their classical counterpart, contrary to what is obtained from a Floquet analysis of the motion in the periodic trapping field. Using numerical simulations of the full wave-packet dynamics, we confirm that the classical trapping criterion are fully applicable to quantum motion, when considering both the expectation value of the position of the wave packet and its width.
We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical, 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.
In this paper, direct observation of micromotion for multiple ions in a laser-cooled trapped ion crystal is discussed along with a novel measurement technique for micromotion amplitude. Micromotion is directly observed using a time-resolving, single-photon sensitive camera that provides both fluorescence and position data for each ion on the nanosecond time scale. Micromotion amplitude and phase for each ion in the crystal are measured, allowing this method to be sensitive to tilts and shifts of the ion chain from the null of the radiofrequency quadrupole potential in the linear trap. Spatial resolution makes this micromotion detection technique suitable for complex ion configurations, including two-dimensional geometries. It does not require any additional equipment or laser beams, and the modulation of the cooling lasers or trap voltages is not necessary for detection, as it is in other methods.
Wave packet molecular dynamics (WPMD) has recently received a lot of attention as a computationally fast tool to study dynamical processes in warm dense matter beyond the Born-Oppenheimer approximation. These techniques, typically, employ many approximations to achieve computational efficiency while implementing semi-empirical scaling parameters to retain accuracy. We investigate three of the main approximations ubiquitous to WPMD: a restricted basis set, approximations to exchange, and the lack of correlation. We examine each of these approximations in atomic and molecular hydrogen in addition to a dense hydrogen plasma. We find that the biggest improvement to WPMD comes from combining a two Gaussian basis with a semi-empirical correction based on the valence-bond wave function. A single parameter scales this correction to match experimental pressures of dense hydrogen. Ultimately, we find that semi-empirical scaling parameters are necessary to correct for the main approximations in WPMD. However, reducing the scaling parameters for more ab-initio terms gives more accurate results and displays the underlying physics more readily.
Simulations of the dynamics of ions trapped in a Paul trap with terms in the potential up to the order 10 have been carried out. The power series method is used to solve numerically the equations of motion of the ions. The stability diagram has been studied and the buffer gas cooling has been implemented by a Monte Carlo method. The dipole excitation was also included. The method has been applied to an existing trap and it has shown good agreement with the experimental results and previous simulations using other methods.
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