We consider a ring of fermionic quantum sites, modeled by the Fermi--Hubbard Hamiltonian, in which electrons can move and interact strongly via the Coulomb repulsion. The system is coupled to fermionic cold baths which by the exchange of particles and energy induce relaxation in the system. We eliminate the environment and describe the system effectively by Lindblad master equations in various versions valid for different coupling parameter regimes. The early relaxation phase proceeds in a universal way, irrespective of the relative couplings and approximations. The system settles down to its low--energy sector and is consecutively well approximated by the Heisenberg model. We compare different Lindblad approaches which, in the late relaxation, push the system towards different final states with opposite, extreme spin orders, from ferromagenetic to antiferromagnetic. Due to spin frustration in the trimer (a three site ring), degenerate ground states are formed by spin waves (magnons). The system described by the global coherent version of the Lindblad operators relaxes towards the final states carrying directed persistent spin currents. We numerically confirm these predictions.
We consider a one-dimensional two component extended Fermi-Hubbard model with nearest neighbor interactions and mass imbalance between the two species. We study the stability of trimers, various observables for detecting them, and expansion dynamics. We generalize the definition of the trimer gap to include the formation of different types of clusters originating from nearest neighbor interactions. Expansion dynamics reveal rapidly propagating trimers, with speeds exceeding doublon propagation in strongly interacting regime. We present a simple model for understanding this unique feature of th…
We study the bound states of $N$ identical bosons that are described by a multiband Bose-Hubbard model with generic hoppings and an attractive onsite interaction. Using a variational approach, we first derive exact integral equations for the dimers, trimers, tetramers, and other multimers, and then apply them to a one-dimensional sawtooth model that features two bands. In particular we reveal the presence of not only the offsite dimer states which consist of two monomers on different sites even in the strong-coupling limit but also the offsite trimer states which consist of either a dimer on o…
We consider two-component one-dimensional quantum gases at special imbalanced commensurabilities which lead to the formation of multimer (multi-particle bound-states) as the dominant order parameter. Luttinger liquid theory supports a mode-locking mechanism in which mass (or velocity) asymmetry is identified as the key ingredient to stabilize such states. While the scenario is valid both in the continuum and on a lattice, the effects of umklapp terms relevant for densities commensurate with the lattice spacing are also mentioned. These ideas are illustrated and confronted with the physics of t…
According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin polarization (magnetization) of open-shell systems; the explicit form of the magnetization as a functional of the total density is, however, unknown. In practice, open-shell systems are always treated with spin-DFT, where the basic variables are the spin densities. Here, the relation between DFT and spin-DFT for open-shell systems is illustrated and the exact m…
We study the time evolution of a half-filled Hubbard layer coupled to a magnon bath after a quench of the Hubbard interaction. Qualitatively different regimes, regarding the asymptotic long-time dynamics, are identified and characterized within the mean-field approximation. In the absence of the bath, the dynamics of the closed system is similar to that of a quenched BCS condensate. Though the presence of the bath introduces an additional relaxation mechanism, our numerical results and analytical arguments show that equilibration with the bath is not necessarily attained within the approximati…
We consider the three-body problem in a generic multiband lattice, and analyze the dispersion of the trimer states that are made of two spin-$\uparrow$ fermions and a spin-$\downarrow$ fermion due to an onsite attraction in between. Based on a variational approach, we first obtain the exact solution in the form of a set of coupled integral equations, and then reduce it to an eigenvalue problem. As an illustration we apply our theory to the sawtooth lattice, and numerically show that energetically-stable trimers are allowed in a two-band setting, which is in sharp contrast with the single-band …
Antiferromagnetism and $d$-wave superconductivity are the most important competing ground-state phases of cuprate superconductors. Using cellular dynamical mean-field theory (CDMFT) for the Hubbard model, we revisit the question of the coexistence and competition of these phases in the one-band Hubbard model with realistic band parameters and interaction strengths. With an exact diagonalization solver, we improve on previous works with a more complete bath parametrization which is carefully chosen to grant the maximal possible freedom to the hybridization function for a given number of bath or…
I consider a Hubbard-Anderson model which describes localized orbitals in three different atoms hybridized both among themselves and with a continuum of extended states (ES). Using a generalized Schrieffer-Wolf transformation, I derive an effective Kondo model for the interaction between the doublet ground state of the isolated trimer and the ES. For an isoceles trimer with distances a, l, l between the atoms, the Kondo temperature is negligigle for l < a and has a maximum for finite l > a when a is small. The results agree with experiments for a Cr trimer on Au(111). [T. Jamneala et al., Phys…
Magnetic ground states of highly doped two-leg Hubbard ladders with a particle bath
Advanced Science Research Center, Japan Atomic Energy Agency（日本原子能机构先进科学研究中心）；Department of Physics, Graduate School of Science, The University of Tokyo（东京大学理学研究科物理学系）；JSR-UTokyo Collaboration Hub, CURIE（JSR-东京大学合作中心，CURIE）
We study relaxation dynamics in a strongly-interacting two-site Fermi-Hubbard model that is induced by coupling each site to a local fermionic bath. To derive the proper form of the Lindblad operators that enter an effective description of the system-bath coupling in different temperature regimes, we employ a diagrammatic real-time technique for the time evolution of the reduced density matrix. In spite of a local coupling to the baths, the found Lindblad operators are non-local in space. We compare with the local approximation, where those non-local effects are neglected. Furthermore, we prop…
We present a systematic investigation of attractive binary mixtures in presence of both spin- and mass-imbalance in one dimensional setups described by the Hubbard model. After discussing typical cold atomic experimental realizations and the relation between microscopic and effective parameters, we study several many-body features of trapped Fermi-Fermi and Bose-Bose mixtures such as density profiles, momentum distributions and correlation functions by means of numerical density-matrix-renormalization-group and Quantum Monte Carlo simulations. In particular, we focus on the stability of Fulde-…
We study the single-band Hubbard model in the presence of a large spatially uniform electric field out of equilibrium. Using the Keldysh nonequilibrium formalism, we solve the problem using perturbation theory in the Coulomb interaction U. We present numerical results for the charge current, the total energy of the system and the double occupancy on an infinite-dimensional hypercubic lattice with nearest-neighbor hopping. The system is isolated from an external bath and is in the paramagnetic state. We show that an electric field pulse can drive the system to a steady nonequilibrium state, whi…
We study the Hubbard model at half band-filling on a Bethe lattice with infinite coordination number in the paramagnetic insulating phase at zero temperature. We use the dynamical mean-field theory (DMFT) mapping to a single-impurity Anderson model with a bath whose properties have to be determined self-consistently. For a controlled and systematic implementation of the self-consistency scheme we use the fixed-energy (FE) approach to the DMFT. In FE-DMFT the onset and the width of the Hubbard bands are adjusted self-consistently but the energies of the bath levels are kept fixed relatively to …
Using a high-frequency expansion in periodically driven extended Hubbard models, where the strengths and ranges of density-density interactions are arbitrary, we obtain the effective interactions and bandwidth, which depend sensitively on the polarization of the driving field. Then, we numerically calculate modulations of correlation functions in a quarter-filled extended Hubbard model with nearest-neighbor interactions on a triangular lattice with trimers after monocycle pulse excitation. We discuss how the resultant modulations are compatible with the effective interactions and bandwidth der…
Many-body physics is one very well suited field for testing quantum algorithms and for finding working heuristics on present quantum computers. We have investigated the non-equilibrium dynamics of one- and two-electron systems, which are coupled to an environment that introduces decoherence and dissipation. In our approach, the electronic system is represented in the framework of a two-site Hubbard model while the environment is modelled by a spin bath. To simulate the non-equilibrium population probabilities of the different states on a quantum computer we have encoded the electronic states a…
The one-dimensional repulsive SU$(n)$ Hubbard model is investigated analytically by bosonization approach and numerically using the density-matrix renormalization-group (DMRG) method for $n=3,4$, and 5 for commensurate fillings $f=p/q$ where $p$ and $q$ are relatively prime. It is shown that the behavior of the system is drastically different depending on whether $q>n$, $q=n$, or $q<n$. When $q>n$, the umklapp processes are irrelevant, the model is equivalent to an $n$-component Luttinger liquid with central charge $c=n$. When $q=n$, the charge and spin modes are decoupled, the umklapp process…
We study the zero temperature mean-field phase diagram of the Bose-Hubbard model in the presence of local coupling between the bosons and an external bath. We consider a coupling that conserves the on-site occupation number, preserving the robustness of the Mott and superfluid phases. We show that the coupling to the bath renormalizes the chemical potential and the interaction between the bosons and reduces the size of the superfluid regions between the insulating lobes. For strong enough coupling, a finite value of hopping is required to obtain superfluidity around the degeneracy points where…
We investigate the optical response of a charge-transfer complex in a condensed phase driven by an external laser field. Our model includes an instantaneous short-range Coulomb interaction and a local optical vibrational mode described by the Holstein-Hubbard (HH) model. Although characterization of the HH model for a bulk system has typically been conducted using a complex phase diagram, this approach is not sufficient for investigations of dynamical behavior at finite temperature, in particular for studies of nonlinear optical properties, where the time irreversibility of the dynamics that a…
Based on generalization and extension of previous work [Phys. Rev. Lett. {\bf 112}, 067201 (2014)] to multiple independent markovian baths we will compute the charge and spin current statistics of the open Hubbard model with weak system-bath coupling up to next-to-leading order in the coupling parameter. The physical results are related to those for the $XXZ$ model in the analogous setup implying a certain universality which potentially holds in this class of nonequilibrium models.
A new representation for electrons is introduced, in which the electron operators are written in terms of a spinless fermion and the Pauli operators. This representation is canonical, invertible and constraint-free. Importantly, it simplifies the Hubbard interaction. On a bipartite lattice, the Hubbard model is reduced to a form in which the exchange interaction emerges simply by decoupling the Pauli subsystem from the spinless fermion bath. This exchange correctly reproduces the large $U$ superexchange. Also derived, for $U=\pm\infty$, is the Hamiltonian to study Nagaoka ferromagnetism. In th…
We study the electronic transport in an infinite one-dimensional Hubbard chain, driven by a homogeneous electric field. The physical chain is coupled to fermion bath chains, in order to account for dissipation and to prevent the occurrence of Bloch Oscillations. The steady state current is computed in the frame of Keldysh Green's functions in Cluster Perturbation Theory. The current characteristics are dominated by resonant-tunneling-like structures, which can be traced back to Wannier-Stark resonances due to anti-ferromagnetic correlations. The same current characteristic occurs in a non-inte…
Motivated by the recent experiments that reported signatures of many-body localization of ultracold atoms in optical lattices [M. Schreiber {\it et al.}, Science {\bf 349}, 842 (2015)], we study dynamics of highly excited states in the strongly disordered Hubbard model in one dimension. Owing to the $SU(2)$ spin symmetry, spin degrees of freedom form a delocalized thermal bath with a narrow bandwidth. The spin bath mediates slow particle transport, eventually leading to delocalization of particles. The particle hopping rate is exponentially small in $t/W$ ($t$, $W$ being hopping and disorder s…
We study the dissipative Fermi-Hubbard model in the limit of weak tunneling and strong repulsive interactions, where each lattice site is tunnel-coupled to a Markovian fermionic bath. For cold baths at intermediate chemical potentials, the Mott insulator property remains stable and we find a fast relaxation of the particle number towards half filling. On longer time scales, we find that the anti-ferromagnetic order of the Mott-Néel ground state on bi-partite lattices decays, even at zero temperature. For zero and non-zero temperatures, we quantify the different relaxation time scales by means …
We present a cluster dynamical mean-field treatment of the Hubbard model on a square lattice to study the evolution of magnetism and quasiparticle properties as the electron filling and interaction strength are varied. Our approach for solving the dynamical mean-field equations is an extension of Potthoff's "two-site" method [Phys. Rev. B. 64, 165114 (2001)] where the self-consistent bath is represented by a highly restricted set of states. As well as the expected antiferromagnetism close to half filling, we observe distortions of the Fermi surface. The proximity of a van Hove point and the in…
In a recent publication, we have discussed the effects of boundary conditions in finite quantum systems and their connection with symmetries. Focusing on the one-dimensional Hubbard Hamiltonian under twisted boundary conditions, we have shown that properties, such as the ground-state and gap energies, converge faster to the thermodynamical limit ($L \rightarrow \infty$) if a special torsion $Θ^*$ is adjusted to ensure particle-hole symmetry. Complementary to the previous research, the present paper extends our analysis to a key quantity for understanding correlations in many-body systems: the …
Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory is presented here for the Hubbard Hamiltonian. In contrast to conventional DFT approaches, the site (or orbital) occupations are deduced in SOET from a partially-interacting system consisting of one (or more) impurity site(s) and non-interacting bath sites. The correlation energy of the bath is then treated implicitly by means of a site-occupation functional…
We demonstrate an algebraic construction of frequency-dependent bath orbitals which can be used in a robust and rigorously self-consistent DMFT-like embedding method, here called $ω-$DMFT, suitable for use with Hamiltonian-based impurity solvers. These bath orbitals are designed to exactly reproduce the hybridization of the impurity to its environment, while allowing for a systematic expansion of this bath space as impurity interactions couple frequency points. In this way, the difficult non-linear fit of bath parameters necessary for many Hamiltonian-formulation impurity solvers in DMFT is av…
We compute the one-particle spectral function and the optical conductivity for the 2-d Hubbard model on a square lattice. The computational method is cellular dynamical mean-field theory (CDMFT) in which a 4-site Hubbard plaquette is embedded in a self-consistent bath. We obtain a `kink' feature in the dispersion of the spectral function and a mid-infrared (mid-IR) absorption peak in the optical conductivity, consistent with experimental data. Of the 256 plaquette states, only a single state which has d$_{x^2-y^2}$ symmetry contributes to the mid-IR, thereby suggesting a direct link with the p…
In the Cellular Dynamical Mean Field Theory (CDMFT), a strongly correlated system is represented by a small cluster of correlated sites, coupled to an adjustable bath of uncorrelated sites simulating the cluster's environment; the parameters governing the bath are set by a self-consistency condition involving the local Green function and the lattice electron dispersion. Solving the cluster problem with an exact diagonalization method is only practical for small bath sizes (8 sites). In that case the self-consistency condition cannot be exactly satisfied and is replaced by a minimization proced…
By use of the conservation laws a four-site Hubbard model coupled to a particle bath within an external magnetic field in z-direction was diagonalized. The analytical dependence of both the eigenvalues and the eigenstates on the interaction strength, the chemical potential and magnetic field was calculated. It is demonstrated that the low temperature behaviour is determined by a delicate interplay between many-particle states differing in electron number and spin if the electron density is away from half-filling. The grand partition sum is calculated and the specific heat, the suszeptibility a…
The effect of doping in the two-dimensional Hubbard model is studied within finite temperature exact diagonalization combined with cluster dynamical mean field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto 2x2 clusters, a considerably more accurate description of the low frequency properties of the self-energy is achieved than in a pure site picture. The transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest neig…
We show that pronounced modulations in spin and charge densities can be induced by the insertion of a single hole in an otherwise half-filled 2-leg Hubbard ladder. Accompanied with these modulations is a loosely bound structure of the doped charge with a spin-1/2, in contrast to the tightly bound case where such modulations are absent. These behaviors are caused by the interference of the Berry phases associated a string of flipped spins (or "phase strings") left behind as a hole travels through a spin bath with a short-range anti-ferromagnetic order. The key role of the phase strings is also …
The variational cluster approach (VCA) is applied to the one-dimensional Hubbard model at zero temperature using clusters (chains) of up to ten sites with full diagonalization and the Lanczos method as cluster solver. Within the framework of the self-energy-functional theory (SFT), different cluster reference systems with and without bath degrees of freedom, in different topologies and with different sets of variational parameters are considered. Static and one-particle dynamical quantities are calculated for half-filling as a function of U as well as for fixed U as a function of the chemical …
Relaxation of electrons in a Hubbard model coupled to a dissipative bosonic bath is studied to simulate the pump-probe photoemission measurement. From this insight, we propose an experimental method of eliciting unoccupied part of the single-particle spectra at the equilibrium of doped-Mott insulators. We reveal first that effective temperatures of distribution functions and electronic spectra are different during the relaxation, which makes the frequently employed thermalization picture inappropriate. Contrary to the conventional analysis, we show that the unoccupied spectra at equilibrium ca…
We consider the Hubbard model with a magnetic Anderson impurity coupled to a lattice site. In the case of infinite dimensions, one-particle correlations of the impurity electron are described by the effective Hamiltonian of the two-impurity system. One of the impurities interacts with a bath of free electrons and represents the Hubbard lattice, and the other is coupled to the first impurity by the bare hybridization interaction. A study of the effective two-impurity Hamiltonian in the frame of the 1/N expansion and for the case of a weak conduction-electron interaction (small U) reveals an enh…
We describe the use of coupled-cluster theory as an impurity solver in dynamical mean-field theory (DMFT) and its cluster extensions. We present numerical results at the level of coupled-cluster theory with single and double excitations (CCSD) for the density of states and self-energies of cluster impurity problems in the one- and two-dimensional Hubbard models. Comparison to exact diagonalization shows that CCSD produces accurate density of states and self-energies at a variety of values of $U/t$ and filling fractions. However, the low cost allows for the use of many bath sites, which we defi…
Here we have developed a FLEX+DMFT formalism, where the symmetry properties of the system are incorporated by constructing a SO(4) generalization of the conventional fluctuation-exchange approximation (FLEX) coupled self-consistently to the dynamical mean-field theory (DMFT). Along with this line, we emphasize that the SO(4) symmetry is the lowest group-symmetry that enables us to investigate superconductivity and antiferromagnetism on an equal footing. We have imposed this by decomposing the electron operator into auxiliary fermionic and slave-boson constituents that respect SU(2)$_{\rm spin}…
Site-occupation embedding theory (SOET) is an alternative formulation of density-functional theory (DFT) for model Hamiltonians where the fully-interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting (rather than a non-interacting) one. It provides a rigorous framework for combining wavefunction (or Green function) based methods with DFT. In this work, exact expressions for the per-site energy and double occupation of the uniform Hubbard model are derived in the context of SOET. As readily seen from these derivations, the so-called bath contribution to the per…
We investigate numerically the problem of few (one, two) noninteracting spin$-1/2$ fermions in a shallow harmonic trap coupled via contact repulsive interactions to a uniform one-dimensional bath of lattice bosons, described by the Bose-Hubbard model. Through extensive density-matrix renormalization group calculations, we extract the binding energy and the effective mass of quasiparticles, including dressed impurities (polarons) and their two-body bound states (bipolarons), emerging from the effective non-local Casimir interaction between the impurities. We show that the mixture exhibits rathe…
