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arXiv2019

Site-resolved imaging of beryllium ion crystals in a high-optical-access Penning trap with inbore optomechanics

We present the design, construction and characterization of an experimental system capable of supporting a broad class of quantum simulation experiments with hundreds of spin qubits using Be-9 ions in a Penning trap. This article provides a detailed overview of the core optical and trapping subsystems, and their integration. We begin with a description of a dual-trap design separating loading and experimental zones and associated vacuum infrastructure design. The experimental-zone trap electrodes are designed for wide-angle optical access (e.g. for lasers used to engineer spin-motional coupling across large ion crystals) while simultaneously providing a harmonic trapping potential. We describe a near-zero-loss liquid-cryogen-based superconducting magnet, employed in both trapping and establishing a quantization field for ion spin-states, and equipped with a dual-stage remote-motor LN2LHe recondenser. Experimental measurements using a nuclear magnetic resonance (NMR) probe demonstrate part-per-million homogeneity over 7 mm-diameter cylindrical volume, with no discernible effect on the measured NMR linewidth from pulse-tube operation. Next we describe a custom-engineered inbore optomechanical system which delivers ultraviolet (UV) laser light to the trap, and supports multiple aligned optical objectives for top- and sideview imaging in the experimental trap region. We describe design choices including the use of non-magnetic goniometers and translation stages for precision alignment. Further, the optomechanical system integrates UV-compatible fiber optics which decouple the system's alignment from remote light sources. Using this system we present site-resolved images of ion crystals and demonstrate the ability to realize both planar and three-dimensional ion arrays via control of rotating wall electrodes and radial laser beams. Looking to future work, we include interferometric..

physics.atom-ph↗

arXiv2018

Tunable Microwave Magnetic Field Detection based on Rabi Resonance with a Single Cesium-Rubidium Hybrid Vapor Cell

We experimentally investigated Rabi resonance-based continuously frequency-tunable microwave (MW) magnetic field detection using a single hybrid vapor cell filled with cesium and rubidium atoms. The multispecies atomic systems, with their tunable abilities in transition frequencies, enabled this atomic sensing head to cover a broader detectable MW field scope compared to the use of a single metal atom. Here, we demonstrated the simultaneous observation of atomic Rabi resonance signals with 85Rb, 87Rb, and 133Cs in the same vapor cell. Using an experimentally feasible static magnetic field (DC field) below 500 Gauss, we realized a MW magnetic field strength detection with bandwidths of 4.8 GHz around 8.1 GHz. The use of these three atomic systems confined in a single vapor cell also enabled the establishment of an identical MW field with the help of DC field, allowing us to perform a perfect comparison for different applications that require the same electromagnetic environment. The results may be useful for the realization and application of many atomic detectors based on different physical principles.

physics.atom-ph↗

arXiv2018

Atom Interferometry with Top-Hat Laser Beams

The uniformity of the intensity and phase of laser beams is crucial to high-performance atom interferometers. Inhomogeneities in the laser intensity profile cause contrast reductions and systematic effects in interferometers operated with atom sources at micro-Kelvin temperatures, and detrimental diffraction phase shifts in interferometers using large momentum transfer beam splitters. We report on the implementation of a so-called top-hat laser beam in a long-interrogation-time cold-atom interferometer to overcome the issue of the inhomogeneous laser intensity encountered when using Gaussian laser beams. We characterize the intensity and relative phase profiles of the top-hat beam and demonstrate its gain in atom-optics efficiency over a Gaussian beam, in agreement with numerical simulations. We discuss the application of top-hat beams to improve the performance of different architectures of atom interferometers.

physics.atom-ph↗

arXiv2019

Ab initio studies of the ground and first excited states of the Sr-H$_2$ and Yb-H$_2$ complexes

Accurate intermolecular potential-energy surfaces (IPESs) for the ground and first excited states of the Sr-H$_2$ and Yb-H$_2$ complexes were calculated. After an extensive methodological study, the CCSD(T) method with the Douglas-Kroll-Hess Hamiltonian and correlation-consistent basis sets of triple-$ζ$ quality extended with 2 sets of diffuse functions and a set of midbond functions were chosen. The obtained ground-state IPESs are similar in both complexes, being relatively isotropic with two minima and two transition states (equivalent by symmetry). The global minima correspond to the collinear geometries with $R=$ 5.45 and 5.10~Å and energies of $-$27.7 and $-$31.7~cm$^{-1}$ for the Sr-H$_2$ and Yb-H$_2$ systems, respectively. The calculated surfaces for the Sr($^3P$)-H$_2$ and Yb($^3P$)-H$_2$ states are deeper and more anisotropic and they exhibit similar patterns within both complexes. The deepest surfaces, where the singly occupied \textit{p}-orbital of the metal atom is perpendicular to the intermolecular axis, are characterised by the global minima of ca. $-$2053 and $-$2260~cm$^{-1}$ in the T-shape geometries at $R=$ 2.41 and 2.29~Å for Sr-H$_2$ and Yb-H$_2$, respectively. Additional calculations for the complexes of Sr and Yb with the He atom revealed a similar, strong dependence of the interaction energy on the orientation of the \textit{p}-orbital in the the Sr($^3P$)-He and Yb($^3P$)-He states.

physics.comp-ph↗

arXiv2018

Calculations of positron binding and annihilation in polyatomic molecules

A model-potential approach to calculating positron-molecule binding energies and annihilation rates is developed. Unlike existing ab initio calculations, which have mostly been applied to strongly polar molecules, the present methodology can be applied to both strongly polar and weakly polar or nonpolar systems. The electrostatic potential of the molecule is calculated at the Hartree-Fock level, and a model potential that describes short-range correlations and long-range polarization of the electron cloud by the positron is then added. The Schrodinger equation for a positron moving in this effective potential is solved to obtain the binding energy. The model potential contains a single adjustable parameter for each type of atom present in the molecule. The wave function of the positron bound state may be used to compute the rate of electron-positron annihilation from the bound state. As a first application, we investigate positron binding and annihilation for the hydrogen cyanide (HCN) molecule. Results for the binding energy are found to be in accord with existing calculations, and we predict the rate of annihilation from the bound state to be $Γ=0.1$--$0.2 \times 10^9~\text{s}^{-1}$.

physics.atom-ph↗

arXiv2019

Design and construction of a multistage Zeeman decelerator for crossed molecular beams scattering experiments

Zeeman deceleration is a relatively new technique used to obtain full control over the velocity of paramagnetic atoms or molecules in a molecular beam. We present a detailed description of a multistage Zeeman decelerator that has recently become operational in our laboratory [Cremers \emph{et al.}, Phys. Rev. A 98, 033406 (2018)], and that is specifically optimized for crossed molecular beams scattering experiments. The decelerator consists of an alternating array of 100 solenoids and 100 permanent hexapoles to guide or decelerate beams of paramagnetic atoms or molecules. The Zeeman decelerator features a modular design that is mechanically easy to extend to arbitrary length, and allows for solenoid and hexapole elements that are convenient to replace. The solenoids and associated electronics are efficiently water cooled and allow the Zeeman decelerator to operate at repetition rates exceeding 10 Hz. We characterize the performance of the decelerator using various beams of metastable rare gas atoms. Imaging of the atoms that exit the Zeeman decelerator reveals the transverse focusing properties of the hexapole array in the Zeeman decelerator.

physics.atom-ph↗

arXiv2019

Implementation of a stable, high-power optical lattice for quantum gas microscopy

We describe the design and implementation of a stable high-power 1064 nm laser system to generate optical lattices for experiments with ultracold quantum gases. The system is based on a low-noise laser amplified by an array of four heavily modified, high-power fiber amplifiers. The beam intensity is stabilized and controlled with a nonlinear feedback loop. Using real-time monitoring of the resulting optical lattice, we find the stability of the lattice site positions to be well below the lattice spacing over the course of hours. The position of the harmonic trap produced by the Gaussian envelope of the lattice beams is stable to about one lattice spacing and the long-term (six-month) relative RMS stability of the lattice spacing itself is 0.5%.

cond-mat.quant-gas↗

arXiv2018

Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF

We employ the $Z$-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (${\mathcal{P}}$) and time-reversal (${\mathcal{T}}$) symmetry violating scalar-pseudoscalar (S-PS) nucleus-electron interaction constant ($W_\text{s}$), the effective electric field ($E_\text{eff}$) experienced by the unpaired electron and the nuclear magnetic quadrupole moment (NMQM)-electron interaction constant ($W_\text{M}$) in the open-shell ground electronic state of HgF. The molecular frame dipole moment and the magnetic hyperfine structure (HFS) constant of the molecule are also calculated at the same level of theory. The outcome of our study is that HgF has a high value of $E_\text{eff}$ (115.9 GV/cm), $W_\text{s}$ (266.4 kHz) and $W_\text{M}$ ($3.59\times 10^{33}$Hz/e.cm$^2$), which shows that it can be a possible candidate for the search of new physics beyond the Standard model. Our results are in good agreement with the available literature values. Furthermore, we investigate the effect of the basis set and that of the virtual energy functions on the computed properties. The role of the high-energy virtual spinors are found to be significant in the calculation of the HFS constant and the ${\mathcal{P,T}}$-odd interaction coefficients.

physics.atom-ph↗

arXiv2018

Atomic photoionization cross-sections beyond the electric dipole approximation

A methodology is developed to compute photoionization cross-sections beyond the electric dipole (BED) approximation from response theory, using Gaussian type orbitals and plane waves for the initial and final states, respectively. The methodology is applied to compute photoionization cross-sections of atoms and ions from the first four rows of the Periodic Table. Analysing the error due to the plane wave description of the photoelectron, we find kinetic energy and concomitant photon energy thresholds above which the plane wave approximation becomes applicable. The correction introduced by going beyond the electric dipole approximation increases with photon energy and depends on the spatial extension of the initial state. In general, the corrections are below 10% for most elements, at a photon energy reaching up to 12 keV.

physics.atom-ph↗

arXiv2019

Towards a Transportable Aluminium Ion Quantum Logic Optical Clock

With the advent of optical clocks featuring fractional frequency uncertainties on the order of $10^{-17}$ and below, new applications such as chronometric levelling with few-cm height resolution emerge. We are developing a transportable optical clock based on a single trapped aluminium ion, which is interrogated via quantum logic spectroscopy. We employ singly-charged calcium as the logic ion for sympathetic cooling, state preparation and readout. Here we present a simple and compact physics and laser package for manipulation of $^{40}\mathrm{Ca}^+$. Important features are a segmented multi-layer trap with separate loading and probing zones, a compact titanium vacuum chamber, a near-diffraction-limited imaging system with high numerical aperture based on a single biaspheric lens, and an all-in-fiber $^{40}\mathrm{Ca}^+$ repump laser system. We present preliminary estimates of the trap-induced frequency shifts on $^{27}\mathrm{Al}^+$, derived from measurements with a single calcium ion. The micromotion-induced second-order Doppler shift for $^{27}\mathrm{Al}^+$ has been determined to be \sods and the black-body radiation shift is $δν_\mathrm{BBR}/ν=(-4.0\pm0.4)\times10^{-18}$. Moreover, heating rates of 30 (7) quanta per second at trap frequencies of $ω_\mathrm{rad,Ca+} \approx2π\times2.5\,\mathrm{MHz}$ ($ω_\mathrm{ax,Ca+} \approx2π\times1.5\,\mathrm{MHz}$) in radial (axial) direction have been measured, enabling interrogation times of a few hundreds of milliseconds.

physics.atom-ph↗

arXiv2019

Reduction of light shifts in Ramsey spectroscopy with a combined error signal

Light-induced frequency shifts can be a key limiting contribution to the mid and long-term frequency instability in atomic clocks. In this letter, we demonstrate the experimental implementation of the combined error signal interrogation protocol to a cold-atom clock based on coherent population trapping (CPT) and Ramsey spectroscopy. The method uses a single error signal that results from the normalized combination of two error signals extracted from two Ramsey sequences of different dark periods. The single combined error signal is used to stabilize the atomic clock frequency. Compared to the standard Ramsey-CPT interrogation, this method reduces the clock frequency sensitivity to light-shift variations by more than one order of magnitude. This method can be applied in various kinds of Ramsey-based atomic clocks, sensors and instruments.

physics.atom-ph↗

arXiv2019

Spurious Ferromagnetic Remanence Detected by Hybrid Magnetometer

Nuclear magnetic resonance detection in ultra low field regime enables the measurement of different components of a spurious remanence in the polymeric material constituting the sample container. A differential atomic magnetometer detects simultaneously the static field generated by the container and the time-dependent signal from the precessing nuclei. The nuclear precession responds with frequency shifts and decay rate variations to the container magnetization. Two components of the latter act independently on the atomic sensor and on the nuclear sample. A model of the measured signal allows a detailed interpretation, on the basis of the interaction geometry.

physics.ins-det↗

arXiv2019

Interactions of benzene, naphthalene, and azulene with alkali-metal and alkaline-earth-metal atoms for ultracold studies

We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. We apply the state-of-the-art \textit{ab initio} techniques to compute the potential energy surfaces (PESs). We use the coupled cluster method restricted to single, double, and noniterative triple excitations to reproduce the correlation energy and the small-core energy-consistent pseudopotentials to model the scalar relativistic effects in heavier metal atoms. We also report the leading long-range isotropic and anisotropic dispersion and induction interaction coefficients. The PESs are characterized in detail and the nature of intermolecular interactions is analyzed and benchmarked using symmetry-adapted perturbation theory. The full three-dimensional PESs are provided for selected systems within the atom-bond pairwise additive representation and can be employed in scattering calculations. Presented study of the electronic structure is the first step towards the evaluation of prospects for sympathetic cooling of polyatomic aromatic molecules with ultracold atoms. We suggest azulene, an isomer of naphthalene which possesses a significant permanent electric dipole moment and optical transitions in the visible range, as a promising candidate for electric field manipulation and buffer-gas or sympathetic cooling.

physics.chem-ph↗

arXiv2019

Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra

We investigate the performance of the range-separated hybrid (RSH) scheme, which combines long-range Hartree-Fock (HF) and a short-range density-functional approximation (DFA), for calculating photoexcitation/photoionization spectra of the H and He atoms, using a B-spline basis set in order to correctly describe the continuum part of the spectra. The study of these simple systems allows us to quantify the influence on the spectra of the errors coming from the short-range exchange-correlation DFA and from the missing long-range correlation in the RSH scheme. We study the differences between using the long-range HF exchange (nonlocal) potential and the long-range exact exchange (local) potential. Contrary to the former, the latter supports a series of Rydberg states and gives reasonable photoexcitation/photoionization spectra, even without applying linear-response theory. The most accurate spectra are obtained with the linear-response time-dependent range-separated hybrid (TDRSH) scheme. In particular, for the He atom at the optimal value of the range-separation parameter, TDRSH gives slightly more accurate photoexcitation and photoioniza-tion spectra than standard linear-response time-dependent HF. More generally, the present work shows the potential of range-separated density-functional theory for calculating linear and nonlinear optical properties involving continuum states.

physics.chem-ph↗

arXiv2019

Optically Tailored Trapping Geometries for Ultracold Atoms on a Type-II Superconducting Chip

Superconducting atom chips have very significant advantages in realizing trapping structures for ultracold atoms compared to conventional atom chips. We extend these advantages further by developing the ability to dynamically tailor the superconducting trap architecture. Heating the chosen parts of a superconducting film by transferring optical images onto its surface we are able to modify the current density distribution and create desired trapping potentials. This method enables us to change the shape and structure of magnetic traps, enabling versatile applications in atomtronics.

physics.atom-ph↗

arXiv2019

Ab-initio Theory of Photoionization via Resonances

We present an \emph{ab-initio} approach for computing the photoionization spectrum near autoionization resonances in multi-electron systems. While traditional (Hermitian) theories typically require computing the continuum states, which are difficult to obtain with high accuracy, our non-Hermitian approach requires only discrete bound and metastable states, which are accurately computed with advanced quantum chemistry tools. We derive a simple formula for the absorption lineshape near Fano resonances, which relates the asymmetry of the spectral peaks to the phase of the complex transition dipole moment. Additionally, we present a formula for the ionization spectrum of laser-driven targets and relate the `Autler-Townes' splitting of spectral lines to the existence of exceptional points in the Hamiltonian. We apply our formulas to compute the autoionization spectrum of helium, but our theory is also applicable for non-trivial multi-electron atoms and molecules.

physics.optics↗

arXiv2019

High accuracy theoretical investigations of CaF, SrF, and BaF and implications for laser-cooling

The NL-eEDM collaboration is building an experimental setup to search for the permanent electric dipole moment of the electron in a slow beam of cold barium fluoride molecules [Eur. Phys. J. D, 72, 197 (2018)]. Knowledge of molecular properties of BaF is thus needed to plan the measurements and in particular to determine an optimal laser-cooling scheme. Accurate and reliable theoretical predictions of these properties require incorporation of both high-order correlation and relativistic effects in the calculations. In this work theoretical investigations of the ground and the lowest excited states of BaF and its lighter homologues, CaF and SrF, are carried out in the framework of the relativistic Fock-space coupled cluster (FSCC) and multireference configuration interaction (MRCI) methods. Using the calculated molecular properties, we determine the Franck-Condon factors (FCFs) for the $A^2Π_{1/2} \rightarrow X^2Σ^{+}_{1/2}$ transition, which was successfully used for cooling CaF and SrF and is now considered for BaF. For all three species, the FCFs are found to be highly diagonal. Calculations are also performed for the $B^2Σ^{+}_{1/2} \rightarrow X^2Σ^{+}_{1/2}$ transition recently exploited for laser-cooling of CaF; it is shown that this transition is not suitable for laser-cooling of BaF, due to the non-diagonal nature of the FCFs in this system. Special attention is given to the properties of the $A'^2Δ$ state, which in the case of BaF causes a leak channel, in contrast to CaF and SrF species where this state is energetically above the excited states used in laser-cooling. We also present the dipole moments of the ground and the excited states of the three molecules and the transition dipole moments (TDMs) between the different states.

physics.atom-ph↗

arXiv2019

Quantum Physics Meets Music: A "Real-Time" Guitar Recording Using Rydberg-Atoms and Electromagnetically Induced Transparency

We demonstrate how Rydberg atoms and the phenomena of electromagnetically induced transparency can be used to aid in the recording of a musical instrument in real time as it is played. Also, by using two different atomic species (cesium and rubidium) in the same vapor cell, we demonstrate the ability to record two guitars simultaneously, where each atomic species detects and allows for the recording of each guitar separately. The approach shows how audio data (the musical composition) can be detected with a quantum system, illustrating how we can control ensembles of atoms to such an extent that we can use them in this "entertaining" example of recording a musical instrument.

physics.atom-ph↗