Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers
Luning Zhao, Joshua Goings, Kenneth Wright, Jason Nguyen, Jungsang Kim, Sonika Johri, Kyujin Shin, Woomin Kyoung, Johanna I. Fuks, June-Koo Kevin Rhee, Young Min Rhee
Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between the expressivity of the VQE ansatz versus the number of quantum gates required to implement the ansatz, given the reality of noisy quantum operations on near-term quantum computers. In this work, we consider an orbital-optimized pair-correlated approximation to the unitary coupled cluster with singles and doubles (uCCSD) ansatz and report a highly efficient quantum circuit implementation for trapped-ion architectures. We show that orbital optimization can recover significant additional electron correlation energy without sacrificing efficiency through measurements of low-order reduced density matrices (RDMs). In the dissociation of small molecules, the method gives qualitatively accurate predictions in the strongly-correlated regime when running on noise-free quantum simulators. On IonQ's Harmony and Aria trapped-ion quantum computers, we run end-to-end VQE algorithms with up to 12 qubits and 72 variational parameters - the largest full VQE simulation with a correlated wave function on quantum hardware. We find that even without error mitigation techniques, the predicted relative energies across different molecular geometries are in excellent agreement with noise-free simulators.
Resolved sideband cooling is a standard technique for cooling trapped ions below the Doppler limit to near their motional ground state. Yet, the most common methods for sideband cooling implicitly rely on low Doppler-cooled temperatures and tightly confined ions, and they cannot be optimized for different experimental conditions. Here we introduce a framework which calculates the fastest possible pulsed sideband cooling sequence for a given number of pulses and set of experimental parameters, and we verify its improvement compared to traditional methods using a trapped $^{171}$Yb$^+$ ion. Afte…
For one-dimensional systems with delta-contact interactions, the convergence of the exact-diagonalization method is tested with a basis of harmonic oscillator eigenfunctions with frequency $Ω$ optimized through the minimization of the eigenenergy of the desired level. It is shown that within the framework of this approach the well-converged results can be achieved at much smaller dimensions of the Hamiltonian matrix than with the standard approach that uses $Ω=1$. We present calculations for model systems of identical bosons with harmonic and double-well potentials. Our results show promising …
The second-order coherence of photons scattered from a trapped Bose-Einstein condensate is found to be enhanced for the scattering angles that are either the same or symmetrical with respect to the direction of laser propagation. The enhancement occurs periodically with respect to the time interval between photons, and becomes less and less pronounced with increasing the strength of the interaction between atoms.
We study the motion of two atoms trapped at distant positions in the field of a driven standing wave high-Q optical resonator. Even without any direct atom-atom interaction the atoms are coupled through their position dependent influence on the intracavity field. For sufficiently good trapping and low cavity losses the atomic motion becomes significantly correlated and the two particles oscillate in their wells preferentially with a 90 degrees relative phase shift. The onset of correlations seriously limits cavity cooling efficiency, raising the achievable temperature to the Doppler limit. The…
We develop holographic quantum simulation techniques to prepare correlated electronic ground states in quantum matrix product state (qMPS) form, using far fewer qubits than the number of orbitals represented. Our approach starts with a holographic technique to prepare a compressed approximation to electronic mean-field ground-states, known as fermionic Gaussian matrix product states (GMPS), with a polynomial reduction in qubit- and (in select cases gate-) resources compared to existing techniques. Correlations are then introduced by augmenting the GMPS circuits in a variational technique which…
A correlated many-body calculation is presented to characterize the Shannon information entropy of trapped interacting bosons. We reformulate the one-body Shannon information entropy in terms of the one-body probability density. The minimum limit of the entropy uncertainty relation (EUR) is approached by making $N$ very small in our numerical work. We examine the effect of correlations in the calculation of information entropy. Comparison with the mean-field result shows that the correlated basis function is indeed required to characterize the important features of the information entropies. W…
Single photons and single-photon pairs, inherently nonclassical in their nature, are fundamental elements of quantum sciences and technologies. Here, we propose to realize the nonclassical correlated deterministic photon pairs at the single-photon level for a single atom trapped in bimodal cavities. It is shown that the photon emissions for bimodal cavities exhibit a high single photon purity and relatively large intracavity photon numbers, which are ascribed to the combination of optical Stark shift enhanced energy-spectrum anharmonicity and quantum interference suppressed two-photon excitati…
Squeezed and rotated quadrature of an ion in a Paul trap is discussed in connection with reconstructing its quantum state using symplectic-tomography method. Marginal distributions of the quadrature for squeezed and correlated states and for nonlinear coherent states of a trapped ion are obtained and the density matrices in the Fock basis are expressed explicitly in terms of these marginal distributions.
The marginal distribution of squeezed and rotated quadrature for two types of nonclassical states of trapped ion -- for squeezed and correlated states and for squeezed even and odd coherent states (squeezed Schrödinger cat states) is studied. The obtained marginal distribution for the two types of states is shown to satisfy classical dynamical equation equivalent to standard quantum evolution equation for density matrix (wave function) derived in symplectic tomography scheme.
The marginal distribution of squeezed, rotated and shifted quadrature for two types of nonclassical states of a trapped ion - squeezed correlated states and squeezed even and odd coherent states (squeezed Schrodinger cat states) - is studied.
Fermionic (atomic nuclei) and bosonic (correlated atoms in a trap) systems are studied from an information-theoretic point of view. Shannon and Onicescu information measures are calculated for the above systems comparing correlated and uncorrelated cases as functions of the strength of short range correlations. One-body and two-body density and momentum distributions are employed. Thus the effect of short-range correlations on the information content is evaluated. The magnitude of distinguishability of the correlated and uncorrelated densities is also discussed employing suitable measures of d…
Quantum correlations can be used as a resource for quantum computing, eg for quantum state manipulation, and for quantum sensing, eg for creating non-classical states which allow to achieve the quantum advantage regime. This review collects the predictions coming from a family of exact solutions which allows to describe the many-body wavefunction of strongly correlated quantum fluids confined by a tight waveguide and subjected to any form of longitudinal confinement. It directly describes the experiments with trapped ultracold atoms where the strongly correlated regime in one dimension has bee…
We demonstrate Floquet engineering in a basic yet scalable 2D architecture of individually trapped and controlled ions. Local parametric modulations of detuned trapping potentials steer the strength of long-range inter-ion couplings and the related Peierls phase of the motional state. In our proof-of-principle, we initialize large coherent states and tune modulation parameters to control trajectories, directions and interferences of the phonon flow. Our findings open a new pathway for future Floquet-based trapped-ion quantum simulators targeting correlated topological phenomena and dynamical g…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to describe quantum states characterized by strong electronic correlations and multi-reference projective methods become necessary. On the other hand, quantum algorithms for the solution of many-electron problems have also emerged recently. The quantum UCC with singles and doubles (q-UCCSD) is a popular wavefunction Ansatz for the Variational Quantum Eigensolve…
Trapped ion quantum hardware demonstration of energy calculations using a multireference unitary coupled cluster ansatz: application to the BeH2 insertion problem
We present a classically solvable model that leads to optimized low-depth quantum circuits leveraging separable pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the long term, provide significantly improved initial states for quantum algorithms. The associated wavefunctions can be represented with linear memory requirement which allows classical optimization of the circuits and naturally defines a minimum benchmark for quantum algorithms. In this work, we employ directly determined pair-natural orbitals within a basis-se…
We propose a scheme for generating vibrational pair coherent states of the motion of an ion in a two-dimensional trap. In our scheme, the trapped ion is excited bichromatically by three laser beams along different directions in the X-Y plane of the ion trap. We show that if the initial vibrational state is given by a two-mode Fock state, the final steady state, indicated by the extinction of the fluorescence emitted by the ion, is a pure state. The motional state of the ion in the equilibrium realizes that of the highly-correlated pair coherent state.
Quantum platforms based on trapped ions are main candidates to build a quantum hardware with computational capacities that largely surpass those of classical devices. Among the available control techniques in these setups, pulsed dynamical decoupling (pulsed DD) revealed as a useful method to process the information encoded in ion registers, whilst minimising the environmental noise over them. In this work, we incorporate a pulsed DD technique that uses random pulse phases, or correlated pulse phases, to significantly enhance the robustness of entangling spin-spin dynamics in trapped ions. Thi…
In the fluorescence light of a single atom, the probability for emission of a photon with certain polarization depends on the polarization of the photon emitted immediately before it. Here correlations of such kind are investigated with a single trapped calcium ion by means of second order correlation functions. A theoretical model is developed and fitted to the experimental data, which show 91% probability for the emission of polarization-correlated photon pairs within 24 ns.
An overview of the Bose-Einstein condensation of correlated atoms in a trap is presented by examining the effect of interparticle correlations to one- and two-body properties of the above systems at zero temperature in the framework of the lowest order cluster expansion. Analytical expressions for the one- and two-body properties of the Bose gas are derived using Jastrow-type correlation function. In addition numerical calculations of the natural orbitals and natural occupation numbers are also carried out. Special effort is devoted for the calculation of various quantum information properties…
Correlated driving-and-dissipation equation (CODDE) is an optimized complete second-order quantum dissipation approach, which is originally concerned with the reduced system dynamics only. However, one can actually extract the hybridized bath dynamics from CODDE with the aid of dissipaton-equation-of-motion theory, a statistical quasi-particle quantum dissipation formalism. Treated as an one{dissipaton theory, CODDE is successfully extended to deal with the Herzberg-Teller vibronic couplings in dipole-field interactions. Demonstrations will be carried out on the non-Condon spectroscopies of a …
The efficient simulation of correlated quantum systems is the most promising near-term application of quantum computers. Here, we present a measurement of the second Renyi entropy of the ground state of the two-site Fermi-Hubbard model on a $5$-qubit programmable quantum computer based on trapped ions. Our work illustrates the extraction of a non-linear characteristic of a quantum state using a controlled-swap gate acting on two copies of the state. This scalable measurement of entanglement on a universal quantum computer will, with more qubits, provide insights into many-body quantum systems …
Quantum manipulation of individual phonons could offer new resources for studying fundamental physics and creating an innovative platform in quantum information science. Here, we propose to generate quantum states of strongly correlated phonon bundles associated with the motion of a trapped atom. Our scheme operates in the atom-phonon resonance regime where the energy spectrum exhibits strong anharmonicity such that energy eigenstates with different phonon numbers can be well-resolved in the parameter space. Compared to earlier schemes operating in the far dispersive regime, the bundle states …
We realize fast transport of ions in a segmented micro-structured Paul trap. The ion is shuttled over a distance of more than 10^4 times its groundstate wavefunction size during only 5 motional cycles of the trap (280 micro meter in 3.6 micro seconds). Starting from a ground-state-cooled ion, we find an optimized transport such that the energy increase is as low as 0.10 $\pm$ 0.01 motional quanta. In addition, we demonstrate that quantum information stored in a spin-motion entangled state is preserved throughout the transport. Shuttling operations are concatenated, as a proof-of-principle for …
We identify gauge freedoms in quantum error correction (QEC) codes and introduce strategies for optimal control algorithms to find the gauges which allow the easiest experimental realization. Hereby, the optimal gauge depends on the underlying physical system and the available means to manipulate it. The final goal is to obtain optimal decompositions of QEC codes into elementary operations which can be realized with high experimental fidelities. In the first part of this paper, this subject is studied in a general fashion, while in the second part, a system of trapped ions is treated as a conc…
We quantify the impact of spatio-temporally correlated Gaussian quantum noise on frequency estimation by Ramsey interferometry. While correlations in a classical noise environment can be exploited to reduce uncertainty relative to the uncorrelated case, we show that quantum noise environments with frequency asymmetric spectra generally introduce additional sources of uncertainty due to uncontrolled entanglement of the sensing system mediated by the bath. For the representative case of collective noise from bosonic sources, and experimentally relevant collective spin observables, we find that t…
We create a one-dimensional strongly correlated quantum gas of $^{133}$Cs atoms with attractive interactions by direct laser cooling in 300~ms. After compressing and cooling the optically trapped atoms to the vibrational ground state along two tightly confined directions, the emergence of a non-Gaussian time-of-flight distribution along the third, weakly confined direction reveals that the system enters a quantum degenerate regime. We observe a strong reduction of two- and three-body spatial correlations and infer that the atoms are directly cooled into a highly correlated excited metastable s…
We propose and analyze a scheme to observe topological phenomena with ions in microtraps. We consider a set of trapped ions forming a regular structure in two spatial dimensions and interacting with lasers. We find phonon bands with non-trivial topological properties, which are caused by the breaking of time reversal symmetry induced by the lasers. We investigate the appearance of edge modes, as well as their robustness against perturbations. Long-range hopping of phonons caused by the Coulomb interaction gives rise to flat bands which, together with induced phonon-phonon interactions, can be …
We investigate quantum synchronization theoretically in a system consisting of two cold ions in microtraps. The ions' motion is damped by a standing-wave laser whilst also being driven by a blue-detuned laser which results in self-oscillation. Working in a non-classical regime, where these oscillations contain only a few phonons and have a sub-Poissonian number variance, we explore how synchronization occurs when the two ions are weakly coupled using a probability distribution for the relative phase. We show that strong correlations arise between the spin and vibrational degrees of freedom wit…
We study a simple model consisting of an atomic ion and a polar molecule trapped in a single setup, taking into consideration their electrostatic interaction. We determine analytically their collective modes of excitation as a function of their masses, trapping frequencies, distance, and the molecule's electric dipole moment. We then discuss the application of these collective excitations to cool molecules, to entangle molecules and ions, and to realize two-qubit gates between them. We finally present a numerical analysis of the possibility of applying these tools to study magnetically ordered…
Identification and understanding of the evolution of interference patterns in two-particle momentum correlations as a function of the strength of interatomic interactions are important in explorations of the nature of quantum states of trapped particles. Together with the analysis of two-particle spatial correlations, they offer the prospect of uncovering fundamental symmetries and structure of correlated many-body states, as well as opening vistas into potential control and utilization of correlated quantum states as quantum information resources. With the use of the second-order density matr…
Quantum simulation provides important tools in studying strongly correlated many-body systems with controllable parameters. As a hybrid of two fundamental models in quantum optics and in condensed matter physics, the Rabi-Hubbard model demonstrates rich physics through the competition between local spin-boson interactions and long-range boson hopping. Here we report an experimental realization of the Rabi-Hubbard model using up to $16$ trapped ions and present a controlled study of its equilibrium properties and quantum dynamics. We observe the ground-state quantum phase transition by slowly q…
A global race towards developing a gate-based, universal quantum computer that one day promises to unlock the never before seen computational power has begun and the biggest challenge in achieving this goal arguably is the quality implementation of a two-qubit gate. In a trapped-ion quantum computer, one of the leading quantum computational platforms, a two-qubit gate is typically implemented by modulating the individual addressing beams that illuminate the two target ions, which, together with others, form a linear chain. The required modulation, expectedly so, becomes increasingly more compl…
We discuss techniques that allow for long coherence times in laser spectroscopy experiments with two trapped ions. We show that for this purpose not only entangled ions prepared in decoherence-free subspaces can be used but also a pair of ions that are not entangled but subject to the same kind of phase noise. We apply this technique to a measurement of the electric quadrupole moment of the 3d D5/2 state of 40Ca+ and to a measurement of the linewidth of an ultrastable laser exciting a pair of 40Ca+ ions.
In this chapter, we present an overview of experiments with trapped Rydberg ions and outline the advantages and challenges of developing applications of this new platform for quantum computing, sensing and simulation. Trapped Rydberg ions feature several important properties, unique in their combination: they are tightly bound in a harmonic potential of a Paul trap, in which their internal and external degrees of freedom can be controlled in a precise fashion. High fidelity state preparation of both internal and motional states of the ions has been demonstrated, and the internal states have be…
Realizing systems that support robust, controlled interactions between individual photons is an exciting frontier of nonlinear optics. To this end, one approach that has emerged recently is to leverage atomic interactions to create strong and spatially non-local interactions between photons. In particular, effective interactions have been successfully created via interactions between atoms excited to Rydberg levels. Here, we investigate an alternative approach, in which atomic interactions arise via their common coupling to photonic crystal waveguides. This technique takes advantage of the abi…
The ability to selectively measure, initialize, and reuse qubits during a quantum circuit enables a mapping of the spatial structure of certain tensor-network states onto the dynamics of quantum circuits, thereby achieving dramatic resource savings when using a quantum computer to simulate many-body systems with limited entanglement. We experimentally demonstrate a significant benefit of this approach to quantum simulation: In addition to all correlation functions, the entanglement structure of an infinite system -- specifically the half-chain entanglement spectrum -- is conveniently encoded w…
We present a detailed study of quantum simulations of coupled spin systems in surface-electrode ion-trap arrays, and illustrate our findings with a proposed implementation of the hexagonal Kitaev model [A. Kitaev, Annals of Physics 321,2 (2006)]. The effective (pseudo)spin interactions making up such quantum simulators are found to be proportional to the dipole-dipole interaction between the trapped ions, and are mediated by motion which can be driven by state-dependent forces. The precise forms of the trapping potentials and the interactions are derived in the presence of a surface electrode …
The motion of two distant trapped particles or mechanical oscillators can be strongly coupled by light modes in a high finesse optical resonator. In a two mode ring cavity geometry, trapping, cooling and coupling is implemented by the same modes. While the cosine mode provides for trapping, the sine mode facilitates ground state cooling and mediates non-local interactions. For classical point particles the centre-of-mass mode is strongly damped and the individual momenta get anti-correlated. Surprisingly, quantum fluctuations induce the opposite effect of positively-correlated particle motion,…
By employing forces that depend on the internal electronic state (or spin) of an atomic ion, the Coulomb potential energy of a strongly coupled array of ions can be modified in a spin-dependent way to mimic effective quantum spin Hamiltonians. Both ferromagnetic and antiferromagnetic interactions can be implemented. We use simple models to explain how the effective spin interactions are engineered with trapped-ion crystals. We summarize the type of effective spin interactions that can be readily generated, and discuss an experimental implementation using single-plane ion crystals in a Penning …
