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arXiv:2601.17386 · Physical Review C

Two-body cluster entangled structure in the H 1 ⊗ H 2 Hilbert space

Fei-Long Xu, Xi-Guang Cao, Y. G.

Published Dec 1, 2025• 0 citations
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Abstract

This study introduces a quantum information perspective to analyze the internal structure of atomic nuclei, focusing on the quantum entanglement between $α$ clusters in the 0$^+$ state of $^8$Be. A wave function based on angular momentum coupling is developed to transform the two-cluster wave function from the conventional center of mass and relative coordinate basis ($\mathcal{H}_{R_{c.m.}} \otimes \mathcal{H}_r$) into the individual particle basis ($\mathcal{H}_1 \otimes \mathcal{H}_2$), which is essential for a precise quantification of entanglement. Within this method, the von Neumann entropy is employed to quantify the entanglement arising from the mixing of angular momentum channels. Additionally, we introduce the concept of spatially resolved entropy, which measures entanglement as a function of the radial separation between clusters. Our analysis reveals that the entanglement is strongly correlated with the spatial configuration at the femtometer scale. As the inter cluster separation vanishes, the system approaches a separable $S$-wave state, indicating that entanglement is dynamically generated during the spatial separation of the clusters. This research provides a new tool for investigating nonlocal quantum correlations in nuclear structure, complementing existing descriptions.

DOI
10.1103/wc1r-8l74

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This study introduces a quantum information perspective to analyze the internal structure of atomic nuclei, focusing on the quantum entanglement between ααα clusters in the 0+^++ state of 8^88Be. A wave function based on angular momentum coupling is developed to transform the two-cluster wave function from the conventional center of mass and relative coordinate basis (HRc.m.⊗Hr\mathcal{H}_{R_{c.m.}} \otimes \mathcal{H}_rHRc.m.​​⊗Hr​) into the individual particle basis (H1⊗H2\mathcal{H}_1 \otimes \mathcal{H}_2H1​⊗H2​), which is essential for a precise quantification of entanglement. Within this method, the von Neumann entropy is employed to quantify the entanglement arising from the mixing of angular momentum channels. Additionally, we introduce the concept of spatially resolved entropy, which measures entanglement as a function of the radial separation between clusters. Our analysis reveals that the entanglement is strongly correlated with the spatial configuration at the femtometer scale. As the inter cluster separation vanishes, the system approaches a separable SSS-wave state, indicating that entanglement is dynamically generated during the spatial separation of the clusters. This research provides a new tool for investigating nonlocal quantum correlations in nuclear structure, complementing existing descriptions.
Abstract Quantum entanglement offers a unique perspective into the underlying structure of strongly-correlated systems such as atomic nuclei. In this paper, we use quantum information tools to analyze the structure of light and medium-mass berillyum, oxygen, neon and calcium isotopes within the nuclear shell model. We use different entanglement metrics, including single-orbital entanglement, mutual information, and von Neumann entropies for different equipartitions of the shell-model valence space and identify mode-entanglement patterns related to the energy, angular momentum and isospin of the nuclear single-particle orbitals. We observe that the single-orbital entanglement is directly related to the number of valence nucleons and the energy structure of the shell, while the mutual information highlights signatures of proton–proton and neutron–neutron pairing, as well as nuclear deformation. Proton and neutron orbitals are weakly entangled by all measures, and in fact have the lowest von Neumann entropies among all possible equipartitions of the valence space. In contrast, orbitals with opposite angular momentum projection have relatively large entropies, especially in spherical nuclei. This analysis provides a guide for designing more efficient quantum algorithms for the noisy intermediate-scale quantum era.
The conventional description of nuclear structure relies heavily on the nuclear mass density function ρ(r) which captures the distribution of nucleons within the nucleus. Recent theoretical developments suggest that this view is incomplete because it neglects the spatial distribution of quantum informational content that arises from many–body correlations and entanglement among nucleons. In this paper we introduce the Nuclear Information Density Spectrum (NIDS), a formalism that assigns to each point inside a nucleus an information density function I(r). This function quantifies the amount of quantum information encoded at each spatial coordinate and is defined through the von Neumann entropy of reduced density matrices of local subsystems. By integrating I(r) over the nuclear volume we recover the total quantum informational content, while the shape of I(r) reflects the distribution of correlation strength throughout the nucleus. We derive explicit expressions for I(r) in terms of the two–body correlation function g2(r1,r2) and outline a strategy to extract I(r) from high–energy elastic and inelastic scattering experiments. The NIDS formalism provides a new lens to view the internal structure of nuclei, potentially redefining shell closures, deformation, and collective modes. Moreover, it offers a quantitative framework to assess the role of quantum correlations in nuclear binding, with implications for the interpretation of exotic nuclei and the equation of state of dense matter. The proposal that the nucleus contains an intrinsic information density invites fresh experimental investigations that could lead to a Nobel–level paradigm shift in nuclear physics.
Background: Entanglement plays a central role in a diverse array of increasingly important research areas, including quantum computation, simulation, measurement, sensing, and communication. Extensive suites of investigations have been performed to better understand entanglement in atomic and molecular quantum many-body systems, while the exploration of entanglement in the structure of nuclei and their reactions is presently in its infancy.Purpose: The goal of this work is to begin investigating the entanglement properties of nuclei from first-principles nuclear many-body calculations. We attempt to identify common features and emergent structures of entanglement that could ultimately lead to new and natural many-body schemes. With an eye toward quantum accelerators in future hybrid-supercomputers, criteria for partitioning nuclear many-body calculations into quantum and classical components may provide advantages in future large-scale computations. Along the way we look for explanations of the relative success of phenomenological models such as the nuclear shell model, and for better ways to match to low-energy nuclear effective field theories and lattice QCD calculations to nuclear many-body techniques that are based upon entanglement.Method: We explore the entanglement between single-particle states in 4He^{4}\mathrm{He}4He and 6He^{6}\mathrm{He}6He. The patterns of entanglement emerging from different single-particle bases are compared, and possible links with the convergence of observables are explored, in particular, ground-state energies. The nuclear wave functions are obtained by performing active-space no-core configuration-interaction calculations using a two-body nucleon-nucleon interaction derived from chiral effective field theory. Entanglement measures within single-particle bases exhibiting different degrees of complexity are determined, in particular, harmonic oscillator (HO), Hartree-Fock (HF), natural (NAT) and variational natural (VNAT) bases. Specifically, single-orbital entanglement entropy, two-orbital mutual information, and negativity are studied.Results: The entanglement structures in 4He^{4}\mathrm{He}4He and 6He^{6}\mathrm{He}6He are found to be more localized within NAT and VNAT bases than within a HO basis for the optimal HO parameters we have worked with. In particular a core-valence structure clearly emerges from the full no-core calculation of 6He^{6}\mathrm{He}6He. The two-nucleon mutual information shows that the VNAT basis, which typically exhibits good convergence properties, effectively decouples the active and inactive spaces.Conclusions: Measures of one- and two-nucleon entanglement are found to be useful in analyzing the structure of nuclear wave functions, in particular the efficacy of basis states, and may provide useful metrics toward developing more efficient schemes for ab initio computations of the structure and reactions of nuclei, and quantum many-body systems more generally.
The nuclear structure orbital entanglement entropy of short range correlation (SRC) is calculated based on the nuclear scale separation, specifically, the entanglement between the SRC orbitals and the rest of the system. It should be stressed that this is a single nucleon and not a pair entanglement entropy between the proton and neutron. The entanglement arises from the probability for a nucleon to occupy a momentum state above the Fermi momentum. The momentum space of the nucleus separates into two parts such that nucleons can occupy the mean-field part of the wave function, i.e., the Fermi sea (FS) and separately the high-momentum SRC part. The orbital entropy obtained is between these two parts where essentially two momentum subspaces are defined, one containing all the low momentum FS states and the other containing the high-momentum part as a SRC ``orbital'' state. For the calculation of the decoupling of low and high momenta which was established by the similarity normalization group the SRC is employed and viewed as a further orbital which can be multiply occupied. Since the probability of the occupation of a single SRC is given by the nuclear contact a simple general expression of the orbital entanglement entropy for SRC by employing the generalized contact formalism is obtained. This general formula for the SRC orbital entanglement entropy of a nuclear structure in terms of the nuclear contact allows one to obtain the scaling of the entropy in terms of the mass number, AAA. From this formula it is evident that, unlike the entanglement entropy of many quantum systems which scales with the surface area, the orbital entanglement entropy associated with the SRC in large nuclei is linearly dependent on AAA, i.e., it is shown to be extensive.
ABSTRACT: In the present work, we have computed the entanglement between the electronic and nuclear motions in two molecular model systems: the one-dimensional hydrogen molecular ion (H2+) and the Shin-Metiu model, considering the molecules as a bipartite systems: electron and nuclear motion. For that purpose, we have computed the Born-Oppenheimer and non-Born-Oppenheimer (Born-Huang) wave function in terms of the Fourier Grid Hamiltonian basis that expands both the electronic and nuclear wave functions. Also, according to the Schmidt decomposition theorem for bipartite systems, widely used in quantum-information theory, there is a much shorter but equivalent expansion in terms of the Schmidt bases for the electronic and nuclear sub-spaces. In these models of distinguishable coupled particles we have shown that the entanglements contents do not increase monotonically with the excitation energy. In the hydrogen molecular ion and in the ShinMetiu model, the entanglements contents for each Born-Oppenheimer electro-nuclear state is quantified through the von-Neumann and linear entropies and we have shown that entanglement serves as a witness of distinguishability of nuclear states related to different Born-Oppenheimer molecular energy curves or electronic excitation modes.
We compute the entanglement between the electronic and vibrational motions in the simplest molecular system, the hydrogen molecular ion, considering the molecule as a bipartite system, electron and vibrational motion. For that purpose we compute an accurate total non-Born-Oppenheimer wave function in terms of a huge expansion using nonorthogonal B-spline basis sets that expand separately the electronic and nuclear wave functions. According to the Schmidt decomposition theorem for bipartite systems, widely used in quantum-information theory, it is possible to find a much shorter but equivalent expansion in terms of the natural orbitals or Schmidt bases for the electronic and nuclear half spaces. Here we extend the Schmidt decomposition theorem to the case in which nonorthogonal bases are used to span the partitioned Hilbert spaces. This extension is first illustrated with two simple coupled systems, the former without an exact solution and the latter exactly solvable. In these model systems of distinguishable coupled particles it is shown that the entanglement content does not increase monotonically with the excitation energy, but only within the manifold of states that belong to an existing excitation mode, if any. In the hydrogen molecular ion the entanglement content for each non-Born-Oppenheimer vibronic state is quantified through the von Neumann and linear entropies and we show that entanglement serves as a witness to distinguish vibronic states related to different Born-Oppenheimer molecular energy curves or electronic excitation modes.