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arXiv:1007.1172 · Physical Review A

Entanglement from density measurements: Analytical density functional for the entanglement of strongly correlated fermions

V. V. França, Irene D’Amico

Published Apr 11, 2011• 23 citations
arXivHTMLPDF

Abstract

We derive an analytical density functional for the single-site entanglement of the one-dimensional homogeneous Hubbard model by means of an approximation to the linear entropy. We show that this very simple density functional reproduces quantitatively the exact results. We then use this functional as input for a local-density approximation to the single-site entanglement of inhomogeneous systems. We illustrate the power of this approach in a harmonically confined system, which could simulate recent experiments with ultracold atoms in optical lattices as well as in a superlattice and in an impurity system. The impressive quantitative agreement with numerical calculations---which includes reproducing subtle signatures of the particle density stages---shows that our density functional can provide entanglement calculations for actual experiments via density measurements. Next we use our functional to calculate the entanglement in disordered systems. We find that, in contrast with the expectation that disorder destroys the entanglement, there exist regimes for which the entanglement remains almost unaffected by the presence of disordered impurities.

DOI
10.1103/physreva.83.042311

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We derive an analytical density functional for the single-site entanglement of the one-dimensional homogeneous Hubbard model by means of an approximation to the linear entropy. We show that this very simple density functional reproduces quantitatively the exact results. We then use this functional as input for a local-density approximation to the single-site entanglement of inhomogeneous systems. We illustrate the power of this approach in a harmonically confined system, which could simulate recent experiments with ultracold atoms in optical lattices as well as in a superlattice and in an impurity system. The impressive quantitative agreement with numerical calculations---which includes reproducing subtle signatures of the particle density stages---shows that our density functional can provide entanglement calculations for actual experiments via density measurements. Next we use our functional to calculate the entanglement in disordered systems. We find that, in contrast with the expectation that disorder destroys the entanglement, there exist regimes for which the entanglement remains almost unaffected by the presence of disordered impurities.
We investigate entanglement of strongly interacting fermions in spatially inhomogeneous environments. To quantify entanglement in the presence of spatial inhomogeneity, we propose a local-density approximation (LDA) to the entanglement entropy, and a nested LDA scheme to evaluate the entanglement entropy on inhomogeneous density profiles. These ideas are applied to models of electrons in superlattice structures with different modulation patterns, electrons in a metallic wire in the presence of impurities, and phase-separated states in harmonically confined many-fermion systems, such as electrons in quantum dots and atoms in optical traps. We find that the entanglement entropy of inhomogeneous systems is strikingly different from that of homogeneous systems.
A density-functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ as basic variable. A simple, explicit approximation to the interaction-energy functional $W[\ensuremath{\gamma}]$ of the Hubbard model is derived from exact dimer results, scaling properties of $W[\ensuremath{\gamma}]$ and known limits. Systematic tests on the one-dimensional chain show a remarkable agreement with the Bethe-ansatz exact solution for all interaction regimes and band fillings. New results are obtained for the ground-state energy and charge-excitation gap in two dimensions. A successful description of strong electron correlations within DFT is achieved.
In this Thesis, we develop and apply an accurate method to determine the ground-state properties of strongly-correlated electrons in the framework of lattice model Hamiltonians. In lattice density-functional theory (LDFT) the basic variable is the one-particle density matrix γ. From a generalized HK theorem, the ground state energy Egs[γgs] = minγ E[γ] is obtained by minimizing the energy-functional E[γ] over all the physical or representable γ. The energy functional can be divided into two contributions: the kinetic-energy functional T [γ], which linear dependence on γ is exactly known, and the correlation-energy functional W [γ], which dependence on γ is not explicitly known. Finding accurate approximations for W [γ] constitutes the actual challenge of this thesis. Part of this work is based on previous studies which derive an approximation of W [γ] for the Hubbard Hamiltonian based on scaling hypothesis and an exact analytical results for the Hubbard dimer. However, this approach is limited to spin independent and homogeneous systems. In order to extend the scope of LDFT, we have developed three different approaches to derive W [γ] in order to study broken symmetry problems. First we extend the previous scaling functional to system having charge transfer. By a systematic study of the dependence of W [γ] on the charge distribution we find similar scaling properties as for the homogeneous case. An extension to the Hubbard model on bipartite lattices is then derived and applied to finite and infinite systems with repulsive and attractive interactions. The high accuracy of this functional is demonstrated. Nevertheless, this approach is difficult to transfer to more complex systems, since the calculation of W [γ] applies to the system as a whole. To overcome this problem, we derive another approximation based on local scaling properties. This functional is formulated on-site so that it can be applied to any ordered or disordered Hamiltonian with on-site interaction. As applications we study the metal-insulator transition in the ionic Hubbard model in oneand two-dimensions, as well as the one-dimensional Hubbard chain with first and second nearest neighbor hoppings. Finally, we develop a numerical approach of W [γ], on the basis on exact diagonalizations of an effective many-body Hamiltonian corresponding to a cluster surrounded by an effective medium. This effective Hamiltonian depends on the density matrix γ and allows to derive approximation to W [γ] which improve systematically with increasing cluster size. The formulation is spin-dependent and allows a straightforward generalization to multi-orbital correlated systems such spd-Hamiltonians. In addition it take into account the effects of short-range charge and spin fluctuations in the functional. The accuracy of the method is demonstrated for the Hubbard model by comparison with the Bethe-Ansatz solution (1D) and quantum Monte Carlo simulations (2D). Finally, an outlook or relevant future developments of the theory is provided.
We use numerical simulation to study ultracold, quantum degenerate, atomic gases. In the first part of the thesis we study the effects of disorder, introduced via a bichromatic optical lattice, in one and two dimensional systems. We employ the Aubry-Andr\'{e} model and use time-dependent numerical simulations to investigate the disorder dependent transition to strong localisation present in the model. Weak s-wave interactions are added to the model and we observe the interaction between localisation and interaction induced self-trapping. We then add a tilted lattice potential to the model. In the homogeneous model this induces Bloch oscillations. While one might expect that a strong enough force will break the strong localisation or self-trapping, within the bounds of the single-band model, the trapping effect of the Bloch oscillations reinforces both of the other effects leading to increased confinement, albeit lacking the clear single frequency oscillation signature of pure Bloch oscillations. Along with the two dimensional bichromatic optical lattice we add a term to the Hamiltonian equivalent to that of a uniform external magnetic field on charged particles. Since the experimental realisation of this model would employ neutral atoms, the magnetic field is synthetic, the equivalent effect being produced by an appropriate set of lasers and magnetic fields. We show that in the ballistic regime (weak bichromatic disorder) the system displays positive magnetoresistance. Conversely in the strong localisation regime the system exhibits negative magnetoresistance. In the latter part of the thesis we use density functional theory to calculate the ground-state density of a harmonically trapped dipolar Fermi gas. We then use these to calculate the lowest energy collective mode oscillation frequencies under the hydrodynamic approximation. We find that increasing the strength of the dipoles has the effect of increasing the mode frequencies. The increase saturates for large dipole strengths. We verify this analytically and show that such is due to the local nature of the two dimensional energy functional and not dependent on the specific equation of state. We employ an average density approximation to construct an energy functional for the inhomogeneous, 2D degenerate Fermi gas. The ground-state densities for a cylindrically symmetric harmonic trap are compared to the Kohn-Sham results, showing extremely good agreement in the tail region and good agreement with the exact ground-state energy. We then do the same for higher order polynomial traps and obtain improved agreement for higher degree.
Strongly correlated electron systems are challenging to calculate, and entanglement in such systems is not widely analyzed. We present an approach that can be used as a postprocessing step for calculating the two-site reduced density matrix and from it entanglement measures such as the mutual information and entanglement negativity. Input is only the one- and two-particle Green's function, which is the output of numerous many-body methods. As an illustration, we present results for a toy model, the Hubbard model on a $2\ifmmode\times\else\texttimes\fi{}2$ cluster and a six-site ring.
Recent advances in the field of strongly correlated electron systems allow to access the entanglement properties of interacting fermionic models, by means of Monte Carlo simulations. We briefly review the techniques used in this context to determine the entanglement entropies and correlations of the entanglement Hamiltonian. We further apply these methods to compute the spin two-point function of entanglement Hamiltonian for a stripe embedded into a correlated topological insulator. Further we discuss a recent method that allows an unbiased, numerically exact, direct determination of the entanglement Hamiltonian by means of auxiliary field quantum Monte Carlo simulations.