The performance of beyond mean-field methods in solving the quantum many-body problem for fermions is usually characterized by the correlation energy measured with respect to the underlying mean-field value. In this paper we address the issue of characterizing the amount of correlations associated to different approximations from a quantum information perspective. With this goal in mind, we analyze the traditional Hartree-Fock (HF) method with spontaneous symmetry breaking, the HF with symmetry restoration and the generator coordinate method in an exactly solvable fermion model known as the three-level Lipkin model. To characterize correlations including entanglement and beyond we use the quantum discord between different partition orbitals. We find that for physically motivated partitions, the quantum discord of the exact ground state is reasonably well reproduced by the different approximations. However, other partitions create "fake quantum correlations" in order to capture quantum correlations corresponding to partitions for which the Hartree-Fock solution fails. Those are removed and redistributed through a symmetry restoration processThe performance of beyond mean-field methods in solving the quantum many-body problem for fermions is usually characterized by the correlation energy measured with respect to the underlying mean-field value. In this paper we address the issue of characterizing the amount of correlations associated to different approximations from a quantum information perspective. With this goal in mind, we analyze the traditional Hartree-Fock (HF) method with spontaneous symmetry breaking, the HF with symmetry restoration and the generator coordinate method in an exactly solvable fermion model known as the three-level Lipkin model. To characterize correlations including entanglement and beyond we use the quantum discord between different partition orbitals. We find that for physically motivated partitions, the quantum discord of the exact ground state is reasonably well reproduced by the different approximations. However, other partitions create "fake quantum correlations" in order to capture quantum correlations corresponding to partitions for which the Hartree-Fock solution fails. Those are removed and redistributed through a symmetry restoration process

Jun 27, 202217 citations

Correlation energy and quantum correlations in a solvable model

Javier Faba, Vicente Martín, Luis Miguel Robledo

Typically in many-body systems the correlation energy, which is defined as the difference between the exact ground-state energy and the mean-field solution, has been a measure of the system's total correlations. However, under the quantum information context, it is possible to define some quantities in terms of the system's constituents that measure the classical and quantum correlations, such as the entanglement entropy, mutual information, quantum discord, one-body entropy, etc. In this work we apply concepts of quantum information in fermionic systems in order to study traditional correlation measures (the relative correlation energy). Concretely, we analyze the two- and three-level Lipkin models, which are exactly solvable (but nontrivial) models commonly used in the context of the many-body problem. We conclude that the correlation energy is not a good estimator of the total correlation of the system, and information theoretic measures should be considered.Typically in many-body systems the correlation energy, which is defined as the difference between the exact ground-state energy and the mean-field solution, has been a measure of the system's total correlations. However, under the quantum information context, it is possible to define some quantities in terms of the system's constituents that measure the classical and quantum correlations, such as the entanglement entropy, mutual information, quantum discord, one-body entropy, etc. In this work we apply concepts of quantum information in fermionic systems in order to study traditional correlation measures (the relative correlation energy). Concretely, we analyze the two- and three-level Lipkin models, which are exactly solvable (but nontrivial) models commonly used in the context of the many-body problem. We conclude that the correlation energy is not a good estimator of the total correlation of the system, and information theoretic measures should be considered.

arXiv:2106.15993Physical Review ASep 30, 202131 citations

Two-orbital quantum discord in fermion systems

Javier Faba, Vicente Martín, Luis Miguel Robledo

A simple expression to compute the quantum discord between two orbitals in fermion systems is derived using the parity superselection rule. As the correlation between orbitals depends on the basis chosen, we discuss a special orbital basis, the natural one. We show that quantum correlations between natural orbital pairs disappear when the pairing tensor is zero, i.e., the particle number symmetry is preserved. The Hartree-Fock orbitals within a Slater determinant state, Hartree-Fock-Bogoliubov quasiparticle orbitals in a quasiparticle vacuum, or the ground state of a Hamiltonian with particle symmetry and their corresponding natural orbitals are some relevant examples of natural bases and their corresponding states. Since natural orbitals have that special property, we seek the quantum discord in non-natural orbital bases. We analyze our findings in the context of the Lipkin-Meshkov-Glick and Agassi models.A simple expression to compute the quantum discord between two orbitals in fermion systems is derived using the parity superselection rule. As the correlation between orbitals depends on the basis chosen, we discuss a special orbital basis, the natural one. We show that quantum correlations between natural orbital pairs disappear when the pairing tensor is zero, i.e., the particle number symmetry is preserved. The Hartree-Fock orbitals within a Slater determinant state, Hartree-Fock-Bogoliubov quasiparticle orbitals in a quasiparticle vacuum, or the ground state of a Hamiltonian with particle symmetry and their corresponding natural orbitals are some relevant examples of natural bases and their corresponding states. Since natural orbitals have that special property, we seek the quantum discord in non-natural orbital bases. We analyze our findings in the context of the Lipkin-Meshkov-Glick and Agassi models.

arXiv:2012.01292Physical Review AMar 19, 202122 citations

Classical correlation and quantum discord in critical systems

M. S. Sarandy

We discuss the behavior of quantum and classical pairwise correlations in critical systems, with the quantumness of the correlations measured by the quantum discord. We analytically derive these correlations for general real density matrices displaying ${Z}_{2}$ symmetry. As an illustration, we analyze both the $XXZ$ and the transverse field Ising models. Finite size as well as infinite chains are investigated and the quantum criticality is discussed. Moreover, we identify the spin functions that govern the correlations. As a further example, we also consider correlations in the Hartree-Fock ground state of the Lipkin-Meshkov-Glick model. It is then shown that both classical correlation and quantum discord exhibit signatures of the quantum phase transitions.We discuss the behavior of quantum and classical pairwise correlations in critical systems, with the quantumness of the correlations measured by the quantum discord. We analytically derive these correlations for general real density matrices displaying ${Z}_{2}$ symmetry. As an illustration, we analyze both the $XXZ$ and the transverse field Ising models. Finite size as well as infinite chains are investigated and the quantum criticality is discussed. Moreover, we identify the spin functions that govern the correlations. As a further example, we also consider correlations in the Hartree-Fock ground state of the Lipkin-Meshkov-Glick model. It is then shown that both classical correlation and quantum discord exhibit signatures of the quantum phase transitions.

arXiv:0905.1347Physical Review AAug 12, 2009551 citations

Symmetry breaking and restoration on a fermionic quantum ring

Joshua Cesca, C. Simenel

Background: The Hartree-Fock mean-field approximation is standard in combination with energy density functionals (EDF) that account for some dynamical correlations. Breaking and restoring the symmetries of the system allow for the inclusion of additional static correlations. However, exact solutions to evaluate the effectiveness of these methods are rare.Purpose: To benchmark the Hartree-Fock method with broken and restored rotational symmetry in a system of identical interacting fermions on a one-dimensional quantum ring using model interactions.Method: The ground-state wave function is found using the Hartree-Fock method both with rotational invariance and with the symmetry broken at the mean-field level. Rotational symmetry is then restored with an angular momentum projection method. The ground-state energies are compared to variational Monte Carlo predictions. This is done for a range of different interactions between the particles.Results: Breaking the rotational symmetry in the Hartree-Fock mean-field brings little improvement to the ground-state energy in weakly repulsive systems or attractive systems confined on small rings. Larger improvements are found in strongly repulsive systems and attractive systems on larger rings in which the particles form a self-bound system. Symmetry restoration brought only small improvements in most cases but was able to account for most of the remaining correlation energy (after symmetry breaking) in repulsive systems.Conclusions: The effectiveness of incorporating correlations through rotational symmetry breaking followed by angular momentum projection is demonstrated for one-dimensional quantum rings using model interactions, encouraging generalisations to other symmetries, extensions to higher dimensions, as well as applications in the EDF framework.Background: The Hartree-Fock mean-field approximation is standard in combination with energy density functionals (EDF) that account for some dynamical correlations. Breaking and restoring the symmetries of the system allow for the inclusion of additional static correlations. However, exact solutions to evaluate the effectiveness of these methods are rare.Purpose: To benchmark the Hartree-Fock method with broken and restored rotational symmetry in a system of identical interacting fermions on a one-dimensional quantum ring using model interactions.Method: The ground-state wave function is found using the Hartree-Fock method both with rotational invariance and with the symmetry broken at the mean-field level. Rotational symmetry is then restored with an angular momentum projection method. The ground-state energies are compared to variational Monte Carlo predictions. This is done for a range of different interactions between the particles.Results: Breaking the rotational symmetry in the Hartree-Fock mean-field brings little improvement to the ground-state energy in weakly repulsive systems or attractive systems confined on small rings. Larger improvements are found in strongly repulsive systems and attractive systems on larger rings in which the particles form a self-bound system. Symmetry restoration brought only small improvements in most cases but was able to account for most of the remaining correlation energy (after symmetry breaking) in repulsive systems.Conclusions: The effectiveness of incorporating correlations through rotational symmetry breaking followed by angular momentum projection is demonstrated for one-dimensional quantum rings using model interactions, encouraging generalisations to other symmetries, extensions to higher dimensions, as well as applications in the EDF framework.

arXiv:2304.05557Physical Review CNov 15, 20230 citations

Fermionic entanglement in the Lipkin model

Martina Di Tullio, R. Rossignoli, Marco Cerezo +1 more

We examine the fermionic entanglement in the ground state of the fermionic Lipkin model and its relation with bipartite entanglement. It is first shown that the one-body entanglement entropy, which quantifies the minimum distance to a fermionic Gaussian state, behaves similarly to the mean-field order parameter and is essentially proportional to the total bipartite entanglement between the upper and lower modes, a quantity meaningful only in the fermionic realization of the model. We also analyze the entanglement of the reduced state of four single-particle modes (two up-down pairs), showing that its fermionic concurrence is strongly peaked at the phase transition and behaves differently from the corresponding up-down entanglement. We finally show that the first measures and the up-down reduced entanglement can be correctly described through a basic mean-field approach supplemented with symmetry restoration, whereas the concurrence requires at least the inclusion of random-phase-approximation--type correlations for a proper prediction. Fermionic separability is also discussed.We examine the fermionic entanglement in the ground state of the fermionic Lipkin model and its relation with bipartite entanglement. It is first shown that the one-body entanglement entropy, which quantifies the minimum distance to a fermionic Gaussian state, behaves similarly to the mean-field order parameter and is essentially proportional to the total bipartite entanglement between the upper and lower modes, a quantity meaningful only in the fermionic realization of the model. We also analyze the entanglement of the reduced state of four single-particle modes (two up-down pairs), showing that its fermionic concurrence is strongly peaked at the phase transition and behaves differently from the corresponding up-down entanglement. We finally show that the first measures and the up-down reduced entanglement can be correctly described through a basic mean-field approach supplemented with symmetry restoration, whereas the concurrence requires at least the inclusion of random-phase-approximation--type correlations for a proper prediction. Fermionic separability is also discussed.

arXiv:1908.08582Physical Review ADec 3, 201924 citations

{Z}_{2}

symmetry. As an illustration, we analyze both the

XXZ

and the transverse field Ising models. Finite size as well as infinite chains are investigated and the quantum criticality is discussed. Moreover, we identify the spin functions that govern the correlations. As a further example, we also consider correlations in the Hartree-Fock ground state of the Lipkin-Meshkov-Glick model. It is then shown that both classical correlation and quantum discord exhibit signatures of the quantum phase transitions.