We investigate vortex nucleation and transport in a rotating dipolar supersolid arranged in a triangular droplet lattice, exploiting its description as an array of weakly linked condensates. By considering both Josephson and macroscopic self-trapping dynamics, we show that local phase differences between droplets provide a compact and highly predictive framework to explore a wide range of vortex behaviors. In particular, Josephson oscillations can be devised to induce vortex nucleation and motion near the vertices of the low-density hexagonal lattice (between droplets), while self-trapping dynamics induce running phases that enable directed vortex transport, which may be accompanied by vortex-antivortex pair creation and annihilation over finite time scales. Comparison with simulations based on the extended Gross-Pitaevskii equation demonstrates that a three-droplet description is essential to capture vortex motion near hexagon vertices. Together, Josephson and self-trapping dynamics provide a tunable protocol to trigger and track vortex nucleation, transport, and vortex-antivortex pair annihilation, revealing the microscopic topological mechanisms underlying phase slips in rotating dipolar supersolids.

We obtain an exact solution for the spectral function for one-dimensional Bose-Bose and Fermi- Fermi mixtures with strong repulsive interactions, valid in arbitrary confining potentials and at all frequency scales. For the case of harmonic confinement we show that, on top of the ladder structure of the density excitations imposed by the external confinement, spin excitations emerge as sideband peaks, with dispersion related to the one of ferromagnetic or antiferromagnetic spin chains and a width fundamentally larger for fermionic mixtures than for bosonic ones, as determined by the different symmetry of spin excited states. The observation of spin excitation branches can provide a univocal probe of interaction-induced magnetism in ultracold atoms.

This work deals with the variational determination of two-particle reduced density matrices corresponding to eigenstates of N-boson systems. Stringent N-representability conditions have been imposed in the variational treatment, in which the resulting optimization problem is addressed within a standard semidefinite programming framework. A unified variational treatment, based on the dispersion operator technique, is proposed. This treatment allows to determine ground- and excited-state energies and their corresponding reduced density matrices, which have been evaluated in systems formulated by means of simple Hamiltonians. We report results from different N-representability levels of treatment. These results are compared with those arising from the full configuration interaction procedure, what allows to point out the relevance of the imposed N-representability conditions. We also highlight the differences found in applying this methodology to fermion and boson systems.

The N-representability problem of reduced density matrices represents a fundamental challenge in electronic structure theory. In this work, we focus on the N-representability of transition reduced density matrices and propose a practical approach to embed a p-body transition reduced density matrix (RDM) of an N-particle system into a (p + 1)-body RDM of an (N + 1)-particle system. This embedding allows us to apply a unitary evolution algorithm based on a recently developed adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to determine the N-representability of reduced density matrices. The algorithm works by effectively applying a sequence of unitary transformations to a given (N + 1)-particle initial state in such a way that the distance of a projection of its corresponding (p + 1)-body RDM (embedded p-body transition RDM) to a target is minimized. Our methodology enables the purification of transition reduced density matrices and the reconstruction of approximate wave functions involved in the studied transitions, providing an effective strategy to correct and refine transition density matrices. We validate our approach with numerical simulations on N-particle systems, including a three-electron model system and the H3 molecule, demonstrating its robustness and accuracy.

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

The study of the long-time dynamics of quantum systems can be a real challenge, especially in systems like ultracold gases, where the required timescales may be longer than the lifetime of the system itself. In this work, we show that it is possible to access the long-time dynamics of a strongly repulsive atomic gas mixture in shorter times. The shortcut-to-dynamics protocol that we propose does not modify the fate of the observables, but effectively jumps ahead in time without changing the system's inherent evolution. Just like the next-chapter button in a movie player that allows to quickly reach the part of the movie one wants to watch, it is a leap into the future.

The study of the long-time dynamics of quantum systems can be a real challenge, especially in systems like ultracold gases, where the required timescales may be longer than the lifetime of the system itself. In this work, we show that it is possible to access the long-time dynamics of a strongly repulsive atomic gas mixture in shorter times. The shortcut-to-dynamics protocol that we propose does not modify the fate of the observables, but effectively jumps ahead in time without changing the system's inherent evolution. Just like the next-chapter button in a movie player that allows to quickly reach the part of the movie one wants to watch, it is a leap into the future.

We study the dynamics of vortices in a Bose-Einstein condensate within a rotating four-site lattice which can be effectively described by a multimode model. Such a vortex dynamics develops along the low-density paths that separate the sites, and it is ruled by the phase differences between them. Hence, by appropriately selecting the initial conditions for on-site populations and phase differences, one can access distinct types of evolutions. We show that, by choosing equal populations in alternate sites, one can construct two-mode model Hamiltonians which allows us to model a large variety of associated vortex orbits. In particular, one can select the type of trajectory of the vortex and predict the creation and annihilation of vortex-antivortex pairs near the trap center. Estimates for the periods of closed vortex orbits and for the times that the vortices spend inside the lattice when dealing with open orbits, are obtained in terms of the two-mode models parameters and the rotation frequency only. We believe that the present study establishes a suitable platform to engineer different vortex dynamics.

This work introduces a variational method for accurately determining both ground and excited states in systems described by the Lipkin model. Traditional variational techniques often struggle to capture excited states because they tend to converge to the lowest energy solution, a phenomenon known as variational collapse. To address this, we employ an energy-variance minimization approach, which treats all states on equal footing and prevents the method from favoring the ground state. Several functional forms for wave functions are explored, including a self-consistent mean-field ansatz, a coupled-cluster-inspired formulation, and an extended coupled-cluster ansatz. The latter approach improves accuracy by incorporating correlations into the reference state with minimal computational cost, leading to wave functions that closely approximate exact solutions. The proposed methodology is applied to a molecular magnet, specifically a cation Fe_8 cluster, incorporating magnetic anisotropy. The results as functions of the applied magnetic field demonstrate the effectiveness of this approach in providing an accurate and efficient description of energy spectra of these systems.

We explore the self-sustained Josephson-junction dynamics in dipolar supersolids, predicting the possibility of self-trapping alongside the experimentally observed Josephson oscillations [G. Biagioni et al., Nature (London) 629, 773 (2024)]. Using an asymmetric two-mode (ATM) model to describe a triangular dipolar supersolid, validated through Gross-Pitaevskii simulations, we demonstrate that the system's symmetry enables a consistent two-mode mapping despite the presence of seven droplets. Hence the associated Hamiltonian allows us to straightforwardly determine the self-trapping regime. Additionally, we show that bringing the system into rotation preserves its ability to sustain the Josephson-junction dynamics across its full range and we assess the robustness of the ATM model under these conditions. We further find that the off-axis droplets move in the radial direction during the evolution in accordance with the size of the central droplet. Such movements do not interfere with the model predictions.

We analyze the pinning of vortices for a stationary rotating dipolar supersolid along the low-density paths between droplets as a function of the rotation frequency. We restrict ourselves to the stationary configurations of vortices with the same symmetry as that of the array of droplets. In particular, such an analysis clearly reveals that vortices are not only pinned at local density minima, but instead their coordinates are smooth functions of the rotation frequency. Our approach to explaining such a behavior exploits the fact that the wave function of each rotating droplet acquires a linear phase on the coordinates. Hence, the relative phases between the nearest neighboring droplets allow us to predict the position of the vortices in the intermediate low-density region. Here, we show that, for a droplet distribution forming a triangular lattice, the phases of three neighboring droplets are needed for the correct description of the vortex location. In particular, for our confined system, we demonstrate that the estimate accurately reproduces the extended Gross-Pitaevskii results in the spatial regions where the neighboring droplets are well defined.

The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtained by contraction, that is, if the given matrix is a p-body reduced density matrix (p-RDM). The knowledge of all necessary and sufficient conditions for a p-body matrix to be N-representable allows the constrained minimization of a many-body Hamiltonian expectation value with respect to the p-body density matrix and, thus, the determination of its exact ground state. However, the number of constraints that complete the N-representability conditions grows exponentially with system size, and hence, the procedure quickly becomes intractable for practical applications. This work introduces a hybrid quantum-stochastic algorithm to effectively replace the N-representability conditions. The algorithm consists of applying to an initial N-body density matrix a sequence of unitary evolution operators constructed from a stochastic process that successively approaches the reduced state of the density matrix on a p-body subsystem, represented by a p-RDM, to a target p-body matrix, potentially a p-RDM. The generators of the evolution operators follow the well-known adaptive derivative-assembled pseudo-Trotter method (ADAPT), while the stochastic component is implemented by using a simulated annealing process. The resulting algorithm is independent of any underlying Hamiltonian, and it can be used to decide whether a given p-body matrix is N-representable, establishing a criterion to determine its quality and correcting it. We apply the proposed hybrid ADAPT algorithm to alleged reduced density matrices from a quantum chemistry electronic Hamiltonian, from the reduced Bardeen-Cooper-Schrieffer model with constant pairing, and from the Heisenberg XXZ spin model. In all cases, the proposed method behaves as expected for 1-RDMs and 2-RDMs, evolving the initial matrices toward different targets.

We propose a model for hard-core bosons in a lattice which allows to achieve the optimal occupation number predicted by Tennie et al (2017 Phys. Rev. B 96 064502) for a finite number of sites. The model is based on an extension of the Hamiltonian of the so-called Hubbard star, whose quantum properties are studied by means of quantum information descriptors such as the von Neumann entropy and the mutual information. These metrics are analyzed as a function of the one- and two-particle reduced density matrices, allowing to explore the relationship between condensation and entanglement by means of a control parameter that, under a given limit, connects our findings with previous results. All developments comprised in this article have been derived by analytical methods.

We study the localization dynamics of a SU(2) fermionic wavepacket launched in a (pseudo)random potential. We show that in the limit of strong inter-component repulsions, the total wavepacket exhibits a boomerang-like dynamics, returning near its initial position as expected for non-interacting particles, while separately each spin-component does not. This spin-charge separation effect occurs both in the infinite repulsive limit and at finite interactions. At infinite interactions, the system is integrable and thermalization cannot occur: the two spin-components push each other during the dynamics and their centers of mass stop further from each other than their initial position. At finite interactions, integrability is broken, the two spin-components oscillate and mix, with their center-of-mass positions converging very slowly to the center of mass of the whole system. This is a signature that the final localized state is a fully spin-mixed thermalized state.

In this work, we formulate the equations of motion corresponding to the Hermitian operator method in the framework of the doubly occupied configuration interaction space. The resulting algorithms turn out to be considerably simpler than the equations provided by that method in more conventional spaces, enabling the determination of excitation energies in N-electron systems under an affordable polynomial computational cost. The implementation of this technique only requires to know the elements of low-order reduced density matrices of an N-electron reference state, which can be obtained from any approximate method. We contrast our procedure against the reduced Bardeen–Cooper–Schrieffer and Richardson–Gaudin–Kitaev integrable models, pointing out the reliability of our proposal.

We study the nucleation and dynamics of vortices in rotating lattice potentials where weakly linked condensates are formed with each condensate exhibiting an almost axial symmetry. Due to such a symmetry, the on-site phases acquire a linear dependence on the coordinates as a result of the rotation, which allows us to predict the position of vortices along the low-density paths that separate the sites. We first show that, for a system of atoms loaded in a four-site square lattice potential, subject to a constant rotation frequency, the analytical expression that we obtain for the positions of vortices of the stationary arrays accurately reproduces the full three-dimensional Gross-Pitaevskii results. We then study the time-dependent vortex nucleation process when a linear ramp of the rotation frequency is applied to a lattice with 16 sites. We develop a formula for the number of nucleated vortices which turns out to have a linear dependence on the rotation frequency with a smaller slope than that of the standard estimate which is valid in the absence of the lattice. From time-dependent Gross-Pitaevskii simulations we further find that the on-site populations remain almost constant during the time evolution instead of spreading outwards, as expected from the action of the centrifugal force. Therefore, the time-dependent phase difference between neighboring sites acquires a running behavior typical of a self-trapping regime. We finally show that, in accordance with our predictions, this fast phase-difference evolution provokes a rapid vortex motion inside the lattice. Our analytical expressions may be useful for describing other vortex processes in systems with the same on-site axial symmetry.

This work implements a variational determination of the elements of two-electron reduced density matrices corresponding to the ground and excited states of N-electron interacting systems based on the dispersion operator technique. The procedure extends the previously reported proposal [Nakata et al., J. Chem. Phys. 125, 244109 (2006)] to two-particle interaction Hamiltonians and N-representability conditions for the two-, three-, and four-particle reduced density matrices in the doubly occupied configuration interaction space. The treatment has been applied to describe electronic spectra using two benchmark exactly solvable pairing models: reduced Bardeen-Cooper-Schrieffer and Richardson-Gaudin-Kitaev Hamiltonians. The dispersion operator combined with N-representability conditions up to the four-particle reduced density matrices provides excellent results.

This work incorporates translational and reflection symmetry reductions to the variational determination of the two-particle reduced density matrix (2-RDM) corresponding to the ground state of N -particle systems, within the doubly occupied configuration interaction (DOCI) space. By exploiting these symmetries within this lower-bound variational methodology it is possible to treat larger systems than those previously studied. The 2-RDM matrix elements are calculated by imposing up to four-particle N -representability constraint conditions using standard semidefinite programing algorithms. The method is applied to the one- and two-dimensional XXZ spin 1/2 model of quantum magnetism. Several observables including the energy and the spin–spin correlation functions are obtained to assess the physical content of the variationally determined 2-RDM. Comparison with quantum-Monte Carlo and matrix product state simulations shows that in most cases only requiring up to three-particle positivity conditions is enough to correctly describe the ground-state properties of these one- and two-dimensional models.

We calculate the finite-temperature Tan's contact for N SU(2) fermions, characterized by repulsive contact interaction, trapped in a 1D harmonic confinement within a local density approximation on top of a thermodynamic Bethe Ansatz. The Tan's contact for such a system, as in the homogeneous case, displays a minimum at a very low temperature. By means of an exact canonical ensemble calculation for two fermions, we provide an explicit formula for the contact at very low temperatures that reveals that the minimum is due to the mixing of states with different exchange symmetries. In the unitary regime, this symmetry blending corresponds to a maximal entanglement entropy.

We develop a multimode model that describes the dynamics on a rotating Bose-Einstein condensate confined by a ring-shaped optical lattice with large filling numbers. The parameters of the model are obtained as a function of the rotation frequency using full 3D Gross-Pitaevskii simulations. From such numerical calculations, we extract the velocity field induced at each site and analyze the relation and the differences between the phase of the hopping parameter of our model and the Peierls phase. To this end, a detailed discussion of such phases is presented in geometrical terms which takes into account the position of the junctions for different configurations. For circularly symmetric onsite densities a simple analytical relation between the hopping phase and the angular momentum is found for arbitrary number of sites. Finally, we confront the results of the rotating multimode model dynamics with Gross-Pitaevskii simulations finding a perfect agreement.