The dominant mechanism of low-energy positron annihilation in polyatomic molecules is through positron capture in vibrational Feshbach resonances (VFR). In this paper, we investigate theoretically the effect of anharmonic terms in the vibrational Hamiltonian on positron annihilation rates. Such interactions enable positron capture in VFRs associated with multiquantum vibrational excitations, leading to enhanced annihilation. Mode coupling can also lead to faster depopulation of VFRs, thereby reducing their contribution to the annihilation rates. To analyze this complex picture, we use coupled-cluster methods to calculate the anharmonic vibrational spectra and dipole transition amplitudes for chloroform, chloroform-$d_1$, 1,1-dichloroethylene, and methanol, and use these data to compute positron resonant annihilation rates for these molecules. Theoretical predictions are compared with the annihilation rates measured as a function of incident positron energy. The results demonstrate the importance of mode coupling in both enhancement and suppression of the VFR. There is also experimental evidence for the direct excitation of multimode VFR. Their contribution is analyzed using a statistical approach, with an outlook towards more accurate treatment of this phenomenon.

We consider a monoenergetic beam of moving charged particles interacting with two separated oscillating electric fields. Time-periodic linear potential is assumed to model the light-particle interaction using a nonrelativistic, quantum mechanical description based on Gordon-Volkov states. Applying Floquet theory, we calculate transmission probabilities as a function of the laser field parameters. The transmission resonances in this Ramsey-like setup are interpreted as if they originated from a corresponding static double-potential barrier with heights equal to the ponderomotive potential resulting from the oscillating field. Due to the opening of new “Floquet channels,” the resonances are repeated at input energies when the corresponding frequency is shifted by an integer multiple of the exciting frequency. These narrow resonances can be used as precise energy filters. The fine structure of the transmission spectra is determined by the phase difference between the two oscillating light fields, allowing for the optical control of the transmission.

Strong-field-ionization yield versus intensity is investigated for various atomic targets (Ne, Ar, Kr, Xe, Na, K, Zn, and Mg) and light polarization from visible to mid-infrared (0.4–4 $\mu \mathrm{m}$), from multiphoton to tunneling regimes. The experimental findings (normalized yield vs intensity, ratio of circular to linear polarization and saturation intensities) are compared to the theoretical models of Perelomov-Popov-Terent'ev (PPT) and Ammosov-Delone-Krainov (ADK). While PPT is generally satisfactory, ADK validity is found, as expected, to be much more limited.

We consider a one-dimensional bosonic gas on a ring lattice, in the presence of a localized barrier, and under the effect of an artificial gauge field. By means of exact diagonalization we study the persistent currents at varying interactions and barrier strength, for various values of lattice filling. While generically the persistent currents are strongly suppressed in the Mott insulator phase, they show a resonant behavior when the barrier strength becomes of the order of the interaction energy. We explain this phenomenon using an effective single-particle model. We show that this effect is robust at finite temperature, up the temperature scale where persistent currents vanish.

The resonant line shape from driving a transition between two states, $|\mathrm{a}\rangle$ and $|\mathrm{b}\rangle$, can be distorted due to a quantum-mechanical interference effect involving a resonance between two different states, $|\mathrm{c}\rangle$ and $|\mathrm{d}\rangle$, if $|\mathrm{c}\rangle$ has a decay path to $|\mathrm{a}\rangle$ and $|\mathrm{d}\rangle$ has a decay path to $|\mathrm{b}\rangle$. This interference can cause a shift of the measured resonance, despite the fact that the two resonances do not have a common initial or final state. As an example, we demonstrate that such a shift affects measurements of the atomic hydrogen $2S_{1/2}$-to-$2P_{1/2}$ Lamb-shift transition due to $3S$-to-$3P$ transitions if the $3S_{1/2}$ state has some initial population.

Monitoring a quantum observable continuously in time produces a stochastic measurement record that noisily tracks the observable. For a classical process, such noise may be reduced to recover an average signal by minimizing the mean squared error between the noisy record and a smooth dynamical estimate. We show that for a monitored qubit, this usual procedure returns unusual results. While the record seems centered on the expectation value of the observable during causal generation, examining the collected past record reveals that it better approximates a moving-mean Gaussian stochastic process centered at a distinct (smoothed) observable estimate. We show that this shifted mean converges to the real part of a generalized weak value in the time-continuous limit without additional postselection. We verify that this smoothed estimate minimizes the mean squared error even for individual measurement realizations. We go on to show that if a second observable is weakly monitored concurrently, then that second record is consistent with the smoothed estimate of the second observable based solely on the information contained in the first observable record. Moreover, we show that such a smoothed estimate made from incomplete information can still outperform estimates made using full knowledge of the causal quantum state.

The quantum master equation is an important tool in the study of quantum open systems. It is often derived under a set of approximations, chief among them the Born (factorization) and Markov (neglect of memory effects) approximations. In this article we study the paradigmatic model of quantum Brownian motion of a harmonic oscillator coupled to a bath of oscillators with a Drude-Ohmic spectral density. We obtain analytically the exact solution of the Heisenberg-Langevin equations, with which we study correlation functions in the asymptotic stationary state. We compare the exact correlation functions to those obtained in the asymptotic long time limit with the quantum master equation in the Born approximation with and without the Markov approximation. In the latter case we implement a systematic derivative expansion that yields the exact asymptotic limit under the factorization approximation only. We find discrepancies that could be significant when the bandwidth of the bath $\mathrm{\Lambda }$ is much larger than the typical scales of the system. We study the exact interaction energy as a proxy for the correlations missed by the Born approximation and find that its dependence on $\mathrm{\Lambda }$ is similar to the discrepancy between the exact solution and that of the quantum master equation in the Born approximation. We quantify the regime of validity of the quantum master equation in the Born approximation with or without the Markov approximation in terms of the system's relaxation rate $\gamma$, its unrenormalized natural frequency $\mathrm{\Omega }$ and $\mathrm{\Lambda }$: $\gamma /\mathrm{\Omega }\ll 1$ and also $\gamma \mathrm{\Lambda }/{\mathrm{\Omega }}^2\ll 1$. The reliability of the Born approximation is discussed within the context of recent experimental settings and more general environments.

We present high-resolution two-color photoassociation spectroscopy of Bose-Einstein condensates of ytterbium atoms. The use of narrow Raman resonances and careful examination of systematic shifts enabled us to measure 13 bound-state energies for three isotopologues of the ground-state ytterbium molecule with standard uncertainties of the order of 500 Hz. The atomic interactions are modeled using an ab initio based mass-scaled Born-Oppenheimer potential whose long-range van der Waals parameters and total WKB phase are fitted to experimental data. We find that the quality of the fit of this model, of about 112.9 kHz (rms) can be significantly improved by adding the recently calculated beyond-Born-Oppenheimer (BBO) adiabatic corrections [J. J. Lutz and J. M. Hutson, J. Mol. Spectrosc. 330, 43 (2016)] and by partially treating the nonadiabatic effects using distance-dependent reduced masses. Our BBO interaction model represents the experimental data to within about 30.2 kHz on average, which is 3.7 times better than the “reference” Born-Oppenheimer model. We calculate the $s$-wave scattering lengths for bosonic isotopic pairs of ytterbium atoms with error bars over two orders of magnitude smaller than previous determinations. For example, the $s$-wave scattering length for ${}^{174}\mathrm{Yb}$ is $+5.55812\left(50\right)$ nm.

Recently, studies of bright circularly polarized high-harmonic beams from atoms in the soft-x-ray region as a source for x-ray magnetic circular dichroism measurement in a tabletop-scale setup have received considerable attention. In this paper, we address the problem with molecular targets and perform a detailed quantum study of ${{\mathrm{H}}_2}^{+}$, CO, and ${\mathrm{N}}_2$ molecules in bichromatic counter-rotating circularly polarized laser fields where we adopt wavelengths (1300 and 790 nm) and intensities ($2\times {10}^{14}\mathrm{W}/{\mathrm{cm}}^2$) reported in a recent experiment [Proc. Natl. Acad. Sci. USA 112, 14206 (2015)]. Our treatment of multiphoton processes in homonuclear and heteronuclear diatomic molecules is nonperturbative and based on the time-dependent density-functional theory for multielectron systems. The calculated radiation spectrum contains doublets of left and right circularly polarized harmonics with high-energy photons in the XUV and soft-x-ray ranges. Our results reveal intriguing and substantially different nonlinear optical responses for homonuclear and heteronuclear diatomic molecules subject to circularly polarized intense laser fields. We study in detail the below- and above-threshold harmonic regions and analyze the ellipticity and phase of the generated harmonic peaks.

Matter-wave sensors with cold atoms have progressed tremendously over recent decades. We report a sensitive tilt sensor based on quantum technology employing cold atoms. This quantum tiltmeter is constructed with the configuration of a Ramsey-Bordé atom interferometer, achieving an improvement of nearly three orders of magnitude for tilt measurements with a short-term sensitivity of $1.3\mu {\mathrm{rad}/\mathrm{Hz}}^{1/2}$, with resolution down to $55\mathrm{nrad}$ at an integration time of 1000 s. The deformation of the Earth's surface has been monitored in a continuous run of 31 h, showing that a quantum tiltmeter can be applied to record tilt tides and can be an valuable sensor in geophysics and various scientific facilities.

Two-dimensional atomic arrays exhibit a number of intriguing quantum optical phenomena, including subradiance, nearly perfect reflection of radiation, and long-lived topological edge states. Studies of emission and scattering of photons in such lattices require complete treatment of the radiation pattern from individual atoms, including long-range interactions. We describe a systematic approach to perform the calculations of collective energy shifts and decay rates in the presence of such long-range interactions for arbitrary two-dimensional atomic lattices. As applications of our method, we investigate the topological properties of atomic lattices both in free space and near plasmonic surfaces.

In the model of gate-based quantum computation, the qubits are controlled by a sequence of quantum gates. In superconducting qubit systems, these gates can be implemented by voltage pulses. The success of implementing a particular gate can be expressed by various metrics such as the average gate fidelity, the diamond distance, and the unitarity. We analyze these metrics of gate pulses for a system of two superconducting transmon qubits coupled by a resonator, a system inspired by the architecture of the IBM Quantum Experience. The metrics are obtained by numerical solution of the time-dependent Schrödinger equation of the transmon system. We find that the metrics reflect systematic errors that are most pronounced for echoed cross-resonance gates, but that none of the studied metrics can reliably predict the performance of a gate when used repeatedly in a quantum algorithm.

Recent experiments on macroscopic quantum tunneling reveal a nonexponential decay of the number of atoms trapped in a quasibound state behind a potential barrier. Through both experiment and theory, we demonstrate this nonexponential decay results from interactions between atoms. Quantum tunneling of tens of thousands of ${}^{87}\mathrm{Rb}$ atoms in a Bose-Einstein condensate is modeled by a modified Jeffreys-Wentzel-Kramers-Brillouin model, taking into account the effective time-dependent barrier induced by the mean field. Three-dimensional Gross-Pitaevskii simulations corroborate a mean-field result when compared with experiments. However, with one-dimensional modeling using time-evolving block decimation, we present an effective renormalized mean-field theory that suggests many-body dynamics for which a bare mean-field theory may not apply.

Polarization of light is harnessed in an abundance of classical and quantum applications. Characterizing polarization in a classical sense is done resoundingly successfully using the Stokes parameters, and numerous proposals offer new quantum counterparts of this characterization. The latter often rely on distance measures from completely polarized or unpolarized light. We here show that the accepted class of perfectly polarized quantum states of light is severely lacking in terms of both pure states and mixed states. By appealing to symmetry and geometry arguments we determine all of the states corresponding to perfect polarization, and show that the accepted class of completely polarized quantum states is only a subset of our result. We use this result to reinterpret the canonical degree of polarization, commenting on its interpretation for classical and quantum light. Our results are necessary for any further characterizations of light's polarization.

The optical properties of randomly positioned, resonant scatterers is a fundamentally difficult problem to address across a wide range of densities and geometries. We investigate it experimentally using a dense cloud of rubidium atoms probed with near-resonant light. The atoms are confined in a slab geometry with a subwavelength thickness. We probe the optical response of the cloud as its density and hence the strength of the light-induced dipole-dipole interactions are increased. We also describe a theoretical study based on a coupled dipole simulation which is further complemented by a perturbative approach. This model reproduces qualitatively the experimental observation of a saturation of the optical depth, a broadening of the transition, and a blueshift of the resonance.

We present derivation and implementation of the multiconfigurational strong-field approximation with Gaussian nuclear wave packets (MC-SFA-GWP)—a version of the molecular strong-field approximation which treats all electronic and nuclear degrees of freedom, including their correlations, quantum mechanically. The technique allows realistic simulation of high-order-harmonic emission in polyatomic molecules without invoking reduced-dimensionality models for the nuclear motion or the electronic structure. We use MC-SFA-GWP to model isotope effects in high-order-harmonic-generation (HHG) spectroscopy of methane. The HHG emission in this molecule transiently involves the strongly vibronically coupled ${}^{2}F_2$ electronic state of the ${\mathrm{CH}}_4{}^{+}$ cation. We show that the isotopic HHG ratio in methane contains signatures of (a) field-free vibronic dynamics at the conical intersection (CI); (b) resonant features in the recombination cross sections; (c) laser-driven bound-state dynamics; as well as (d) the well-known short-time Gaussian decay of the emission. We assign the intrinsic vibronic feature (a) to a relatively long-lived ($\ge 4$ fs) vibronic wave packet of the singly excited ${\nu }_4$ ($t_2$) and ${\nu }_2$ ($e$) vibrational modes, strongly coupled to the components of the ${}^{2}F_2$ electronic state. We demonstrate that these physical effects differ in their dependence on the wavelength, intensity, and duration of the driving pulse, allowing them to be disentangled. We thus show that HHG spectroscopy provides a versatile tool for exploring both conical intersections and resonant features in photorecombination matrix elements in the regime not easily accessible with other techniques.

In this article we describe the incoherent and coherent spin and charge dynamics of a single-electron quantum dot. We use a stochastic master equation to model the state of the system, as inferred by an observer with access to only the current signal through a quantum point contact, acting as a charge sensor. Measurements obtained during an interval of time contribute, by a past quantum state analysis, to our knowledge about the system at any time $t$ within that interval. Such analysis permits precise estimation of physical parameters and we propose and test a modification of the classical Baum-Welch parameter reestimation method to systems driven by both coherent and incoherent processes.

We review the unconventional photon blockade mechanism. This quantum effect remarkably enables a strongly sub-Poissonian light statistics, even from a system characterized by a weak single-photon nonlinearity. We revisit the past results, which can be interpreted in terms of quantum interferences or optimal squeezing, and show how recent developments on input-output field mixing can overcome the limitations of the original schemes towards passive and integrable single-photon sources. We finally present some valuable alternative schemes for which the unconventional blockade can be directly adapted.

Boundaries strongly affect the behavior of quantized vortices in Bose-Einstein condensates, a phenomenon particularly evident in elongated cigar-shaped traps where vortices tend to orient along a short direction to minimize energy. Remarkably, contributions to the angular momentum of these vortices are tightly confined to the region surrounding the core, in stark contrast to untrapped condensates where all atoms contribute $\hslash$. We develop a theoretical model and use this, in combination with numerical simulations, to show that such localized vortices precess in a manner analogous to that of a classical spinning top. We experimentally verify this spinning-top behavior with our real-time imaging technique that allows for the tracking of position and orientation of vortices as they dynamically evolve. Finally, we perform an in-depth numerical investigation of our real-time expansion and imaging method, with the aim of guiding future experimental implementation as well as outlining directions for its improvement.

Recently, it has been proposed that space-based atomic sensors may be used to detect gravitational waves. These proposals describe the sensors either as clocks or as atom interferometers. Here, we seek to explore the fundamental similarities and differences between the two types of proposals. We present a framework in which the fundamental mechanism for sensitivity is identical for clock and atom interferometer proposals, with the key difference being whether or not the atoms are tightly confined by an external potential. With this interpretation in mind, we propose two major enhancements to detectors using confined atoms, which allow for an enhanced sensitivity analogous to large momentum transfer used in atom interferometry (though with no transfer of momentum to the atoms), and a way to extend the useful coherence time of the sensor beyond the atom's excited-state lifetime.