We examine the mode entanglement and correlation of two fermionic particles. We study the one- and two-mode entropy and a global characteristic, the one-body entanglement entropy. We consider not only angular momentum coupled states with single configuration but use the configuration interaction method. With the help of the Slater decomposition, we derive analytical expressions for the entanglement measures. We show that when the total angular momentum is zero specific single configurations describe maximally entangled states. It turns out that for a finite number of associated modes the one- and two-mode entropies have identical values. In the shell model framework, we numerically study two valence neutrons in the
sd shell. The one-body entanglement entropy of the ground state is close to the maximal value and the associated modes have the largest mutual information.
Fermionic Hamiltonians play a critical role in quantum chemistry, one of the most promising use cases for near-term quantum computers. However, since encoding nonlocal fermionic statistics using conventional qubits results in significant computational overhead, fermionic quantum hardware, such as fermion atom arrays, were proposed as a more efficient platform. In this context, we here study the many-body entanglement structure of fermionic
N-particle states by concentrating on
M-body reduced density matrices (DMs) across various bipartitions in Fock space. The von Neumann entropy of the reduced DM is a basis independent entanglement measure which generalizes the traditional quantum chemistry concept of the one-particle DM entanglement, which characterizes how a single fermion is entangled with the rest. We carefully examine the upper bounds on the
M-body entanglement, which are analogous to the volume law of conventional entanglement measures. To this end, we establish a connection between
M-body reduced DM and the mathematical structure of hypergraphs. Specifically, we show that a special class of hypergraphs, known as
t-designs, corresponds to maximally entangled fermionic states. We also explore fermionic many-body entanglement in random states. We semianalytically demonstrate that the distribution of reduced DMs associated with random fermionic states corresponds to the trace-fixed Wishart-Laguerre random matrix ensemble. In the limit of large single-particle dimension
D and a non-zero filling fraction, random states asymptotically become absolutely maximally entangled. We also analyze many-body entanglement in interacting fermionic systems by using the
M-body DM. We demonstrate that if a particle number conserving fermionic Hamiltonian contains only up to
M-body interaction terms, then its
N-particle ground state cannot be maximally
M-body entangled. As a key step in the proof, we show that the energy expectation value of a maximally
M-body mixed state is equal to the spectral mean of the Hamiltonian on the corresponding
N-particle subspace. We further demonstrate that the many-body entanglement structure of a ground state can place quantitative constraint on the interaction strength of its parent Hamiltonian. We illustrate the theorem and its implications in Hubbard and extended SYK models. Going beyond ground states, we analyze entanglement generation under unitary dynamics from Slater-determinant initial states in these models. We determine early-time growth and estimate entanglement saturation times. Finally, we derive explicit symmetry-refined saturation upper bounds for
M-body entanglement in the presence of an Abelian symmetry.
Abstract We examine mode entanglement and correlation of two fermionic particles analytically and numerically. We study the one- and two-mode entropies and a global characteristic, the one-body entanglement entropy considering angular momentum coupled state with a single configuration. We show that with rearrangement of the single-particle orbitals the Slater decomposition can be obtained which can also be applied for configuration mixing subject to special restriction. With the help of the Slater decomposition, we derive analytical expressions for the entanglement measures, which becomes very simple for zero total angular momentum. The Slater decomposition allows us to define associated modes, and it turns out that they have identical one- and two-mode entropies. Furthermore, we show that specific single configurations describe maximally entangled states when the total angular momentum is zero. The numerical shell model study of two valence neutrons in the sd shell is revealed that the one-body entanglement entropy of the ground state is close to the maximal value, and the associated modes have the largest mutual information.
We examine distinct measures of fermionic entanglement in the exact ground state of a finite superconducting system. It is first shown that global measures such as the one-body entanglement entropy, which represents the minimum relative entropy between the exact ground state and the set of fermionic Gaussian states, exhibit a close correlation with the BCS gap, saturating in the strong superconducting regime. The same behavior is displayed by the bipartite entanglement between the set of all single-particle states
k of positive quasimomenta and their time-reversed partners
k. In contrast, the entanglement associated with the reduced density matrix of four single-particle modes $k,\overline{k}, {k}^{\ensuremath{'}},{\overline{k}}^{\ensuremath{'}}$, which can be measured through a properly defined fermionic concurrence, exhibits a different behavior, showing a peak in the vicinity of the superconducting transition for states $k,{k}^{\ensuremath{'}}$ close to the Fermi level and becoming small in the strong coupling regime. In the latter, such reduced state exhibits, instead, a finite mutual information and quantum discord. While the first measures can be correctly estimated with the BCS approximation, the previous four-level concurrence lies strictly beyond the latter, requiring at least a particle-number projected BCS treatment for its description. Formal properties of all previous entanglement measures are as well discussed.
We analyze the problem of quantifying entanglement in pure and mixed states of fermionic systems with a fixed number parity yet not necessarily a fixed particle number. The mode entanglement between one single-particle level and its orthogonal complement is first considered, and an entanglement entropy for such a partition of a particular basis of the single-particle Hilbert space
H is defined. The sum over all single-particle modes of this entropy is introduced as a measure of the total entanglement of the system with respect to the chosen basis and it is shown that its minimum over all bases of
H is a function of the one-body density matrix. Furthermore, we show that if minimization is extended to all bases related through a Bogoliubov transformation, then the entanglement entropy is a function of the generalized one-body density matrix. These results are then used to quantify entanglement in fermion systems with four single-particle levels. For general pure states of such a system a closed expression for the fermionic concurrence is derived, which generalizes the Slater correlation measure defined by J. Schliemann et al. [Phys. Rev. A 64, 022303 (2001)], implying that particle entanglement may be seen as minimum mode entanglement. It is also shown that the entanglement entropy defined before is related to this concurrence by an expression analogous to that in the two-qubit case. For mixed states of this system the convex roof extension of the previous concurrence and entanglement entropy is evaluated analytically, extending the results in previous reference to general states.
The interplay between electron interaction and geometry in a molecular system can lead to rather paradoxical situations. The prime example is the dissociation limit of the hydrogen molecule. While a significant increase of the distance r between the two nuclei marginalizes the electron–electron interaction, the exact ground state does, however, not take the form of a single Slater determinant. By first reviewing and then employing concepts from quantum information theory, we resolve this paradox and its generalizations to more complex systems in a quantitative way. To be more specific, we illustrate and prove that thermal noise due to finite, possibly even just infinitesimally low, temperature T will destroy the entanglement beyond a critical separation distance r crit ( T ) entirely. Our analysis is comprehensive in the sense that we simultaneously discuss both total correlation and entanglement in the particle picture as well as in the orbital/mode picture. Our results reveal a conceptually new characterization of static and dynamical correlation in ground states by relating them to the (non)robustness of correlation with respect to thermal noise.