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arXiv:2312.14155 · Nature Communications

Entanglement Rényi negativity of interacting fermions from quantum Monte Carlo simulations

Fo-Hong Wang, Xiao Yan Xu

Published Mar 17, 2025• 14 citations
arXivHTMLPDF

Abstract

Many-body entanglement unveils additional aspects of quantum matter and offers insights into strongly correlated physics. While ground-state entanglement has received much attention in the past decade, the study of mixed-state quantum entanglement using negativity in interacting fermionic systems remains largely unexplored. We demonstrate that the partially transposed density matrix of interacting fermions, similar to their reduced density matrix, can be expressed as a weighted sum of Gaussian states describing free fermions, enabling the calculation of rank-n Rényi negativity within the determinant quantum Monte Carlo framework. We calculate the rank-two Rényi negativity for the half-filled Hubbard model and the spinless t-V model. Our calculation reveals that the area law coefficient of the Rényi negativity for the spinless t-V model has a logarithmic finite-size scaling at the finite-temperature transition point. Our work contributes to the calculation of entanglement and sets the stage for future studies on quantum entanglement in various fermionic many-body mixed states.

DOI
10.1038/s41467-025-57971-8

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Many-body entanglement unveils additional aspects of quantum matter and offers insights into strongly correlated physics. While ground-state entanglement has received much attention in the past decade, the study of mixed-state quantum entanglement using negativity in interacting fermionic systems remains largely unexplored. We demonstrate that the partially transposed density matrix of interacting fermions, similar to their reduced density matrix, can be expressed as a weighted sum of Gaussian states describing free fermions, enabling the calculation of rank-n Rényi negativity within the determinant quantum Monte Carlo framework. We calculate the rank-two Rényi negativity for the half-filled Hubbard model and the spinless t-V model. Our calculation reveals that the area law coefficient of the Rényi negativity for the spinless t-V model has a logarithmic finite-size scaling at the finite-temperature transition point. Our work contributes to the calculation of entanglement and sets the stage for future studies on quantum entanglement in various fermionic many-body mixed states.
Characterizing mixed-state entanglement in fermionic quantum matter represents a fundamental challenge at the intersection of condensed matter physics and quantum information. Unlike pure states, mixed states lack a universally accepted and easily computable entanglement measure, a difficulty compounded in fermionic systems by the ambiguity of the partial transpose operation. Here, motivated by the Hermiticity of the partially transposed density matrix and the analytic continuation of the Rényi negativity to logarithmic negativity, we address this puzzle by demonstrating the "twisted" Rényi negativity as a physically consistent proxy for mixed-state entanglement in the Hubbard and spinless [Formula: see text]-[Formula: see text] models. Through large-scale quantum Monte Carlo simulations of these paradigmatic correlated systems, we show that this indicator captures essential physical expectations-including the area law and monotonic thermal suppression-while excluding anomalous behavior present in alternative definitions. Our findings not only provide a robust theoretical framework for quantifying entanglement in strongly correlated electronic systems but also offer a practical tool for experimental detection in rapidly developing platforms, including ultracold atomic gases and programmable quantum simulators.
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Given a specific interacting quantum Hamiltonian in a general spatial dimension, can one access its entanglement properties, such as the entanglement entropy corresponding to the ground state wave function? Even though progress has been made in addressing this question for interacting bosons and quantum spins, as yet there exist no corresponding methods for interacting fermions. Here we show that the entanglement structure of interacting fermionic Hamiltonians has a particularly simple form-the interacting reduced density matrix can be written as a sum of operators that describe free fermions. This decomposition allows one to calculate the Renyi entropies for Hamiltonians which can be simulated via determinantal quantum Monte Carlo calculations, while employing the efficient techniques hitherto available only for free fermions. The method presented works for the ground state, as well as for the thermally averaged reduced density matrix.
In this paper, we calculate the entanglement negativity in free-fermion systems by use of the overlap matrices. For a tripartite system, if the ground state can be factored into triples of modes, we show that the partially transposed reduced density matrix can be factorized and the entanglement negativity has a simple form. However, the factorability of the ground state in a tripartite system does not hold in general. In this situation, the partially transposed reduced density matrix can be expressed in terms of the Kronecker product of matrices. We explicitly compute the entanglement negativity for the Su-Schrieffer-Heeger model, the integer Quantum Hall state, and a homogeneous one-dimensional chain. We find that the entanglement negativity for the integer quantum Hall states shows an area law behavior. For the entanglement negativity of two adjacent intervals in a homogeneous one-dimensional gas, we find agreement with the conformal field theory. Our method provides a numerically feasible way to study the entanglement negativity in free-fermion systems.
Over the past two decades, the overlap matrix approach has been developed to compute quantum entanglement in free-fermion systems, particularly to calculate entanglement entropy and entanglement negativity. This method involves the use of partial trace and partial transpose operations within the overlap matrix framework. However, in previous studies, only the conventional partial transpose in fermionic systems has been considered, which does not account for fermionic anticommutation relations. Although the concept of a fermionic partial transpose was introduced by Shapourian et al. [Phys. Rev. B 95, 165101 (2017)], it has not yet been systematically incorporated into the overlap matrix framework. In this paper, we introduce the fermionic partial transpose into the overlap matrix approach, provide a systematic analysis of the validity of partial trace and partial transpose operations, and derive an explicit formula for calculating entanglement negativity in bipartite systems. Additionally, we numerically compute the logarithmic negativity of two lattice models to verify the Gioev-Klich-Widom scaling law. For tripartite geometries, we uncover limitations of the overlap matrix method and demonstrate that the previously reported logarithmic negativity result for a homogeneous one-dimensional chain in a disjoint interval geometry exceeds its theoretical upper bound.
Entanglement measures such as the entanglement entropy have become an indispensable tool to identify the fundamental character of ground states of interacting quantum many-body systems. For systems of interacting spin or bosonic degrees of freedom much recent progress has been made not only in the analytical description of their respective entanglement entropies but also in their numerical classification. Systems of interacting fermionic degrees of freedom, however, have proved to be more difficult to control, in particular with regard to the numerical understanding of their entanglement properties. Here we report a generalization of the replica technique for the calculation of Rényi entropies to the framework of determinantal Quantum Monte Carlo simulations—the numerical method of choice for unbiased, large-scale simulations of interacting fermionic systems. We demonstrate the strength of this approach over a recent alternative proposal based on a decomposition in free fermion Green's functions by studying the entanglement entropy of one-dimensional Hubbard systems both at zero and finite temperatures.