The gate and qubit requirements of quantum computations of electronic structure have been extensively studied. However, the quantum resources present in electronic ground states, as measured by entanglement and magic, remain less well understood. We study the relationship between correlation in electronic structure Hamiltonians and magic as measured by the 2-stabilizer Renyi entropy (2-SRE). Perturbative calculations show that the 2-SRE of a given state is proportional to its overlap with a reference stabilizer state. In the context of quantum chemistry, this links the magic of electronic structure ground states to their Hartree-Fock weight, an established measure of electronic correlation. We then show that the 2-SRE of post-Hartree-Fock ground states is proportional to the correlation energy they recover. We explore this connection through the contextual subspace (CS) method. We present a theoretical framework showing that the CS method can be used to monotonically vary the magic of approximate CS ground states, and we prove that the correlation energy recovered by the CS ground states is proportional to the magic present in the approximate ground state. We present simulation results using 190 molecular species under Jordan-Wigner encoding at a range of bond lengths. The linear relationships between magic and correlation are robust across the Hamiltonians in our dataset, but break down at bond lengths beyond the Coulson-Fischer point, where Hartree-Fock fails to capture key physical features of the true ground state wavefunction. By establishing linear relationships for both correlation energy and Hartree-Fock reference weight with the 2-SRE, we conclude that for weakly- and moderately-correlated electronic structure Hamiltonians, the correlation is directly represented by 2-SRE, and thus by the magic.
The gate and qubit requirements of quantum computations of electronic structure have been extensively studied. However, the quantum resources present in electronic ground states, as measured by entanglement and magic, remain less well understood. We study the relationship between correlation in electronic structure Hamiltonians and magic as measured by the 2-stabilizer Renyi entropy (2-SRE). Perturbative calculations show that the 2-SRE of a given state is proportional to its overlap with a reference stabilizer state. In the context of quantum chemistry, this links the magic of electronic structure ground states to their Hartree-Fock weight, an established measure of electronic correlation. We then show that the 2-SRE of post-Hartree-Fock ground states is proportional to the correlation energy they recover. We explore this connection through the contextual subspace (CS) method. We present a theoretical framework showing that the CS method can be used to monotonically vary the magic of approximate CS ground states, and we prove that the correlation energy recovered by the CS ground states is proportional to the magic present in the approximate ground state. We present simulation results using 190 molecular species under Jordan-Wigner encoding at a range of bond lengths. The linear relationships between magic and correlation are robust across the Hamiltonians in our dataset, but break down at bond lengths beyond the Coulson-Fischer point, where Hartree-Fock fails to capture key physical features of the true ground state wavefunction. By establishing linear relationships for both correlation energy and Hartree-Fock reference weight with the 2-SRE, we conclude that for weakly- and moderately-correlated electronic structure Hamiltonians, the correlation is directly represented by 2-SRE, and thus by the magic.
Magic, capturing the deviation of a quantum state from the stabilizer formalism, is a key resource underpinning the quantum advantage. The recently introduced stabilizer Rényi entropy (SRE) offers a tractable measure of magic, avoiding the complexity of conventional methods. We study SRE in translation-invariant matrix product states (MPS), deriving exact expressions for representative states and introducing a numerically stable algorithm, named bond-DMRG, to compute the SRE density in infinite systems. Applying this method, we obtain high-precision SRE densities for the ground state of the one-dimensional Ising model. We also analyze non-local SRE density, showing it is bounded by a universal function of entanglement entropy, and further prove that two-site mutual SRE vanishes asymptotically in injective MPS. Our work not only introduces a powerful method for extracting the SRE density in quantum many-body systems, but also numerically reveals a fundamental connection between magic and entanglement, thereby paving the way for deeper theoretical investigations into their interplay.
Magic is a property of a quantum state that characterizes its deviation from a stabilizer state, serving as a useful resource for achieving universal quantum computation e.g., within schemes that use Clifford operations. In this work, we study magic, as quantified by the stabilizer Renyi entropy, in a class of models known as generalized Rokhsar-Kivelson systems, i.e., Hamiltonians that allow a stochastic matrix form (SMF) decomposition. The ground state wavefunctions of these systems can be written explicitly throughout their phase diagram, and their properties can be related to associated classical statistical mechanics problems, thereby allowing powerful analytical and numerical approaches that are not usually available in conventional quantum many body settings. As a result, we are able to express the SRE in terms of wave function coefficients that can be understood as a free energy difference of related classical problems. We apply this insight to a range of quantum many body SMF Hamiltonians, which affords us to study numerically the SRE of large high-dimensional systems, and in some cases to obtain analytical results. We observe that the behaviour of the SRE is relatively featureless across quantum phase transitions in these systems, although it is indeed singular (in its first or higher order derivative, depending on the nature of the transition). On the contrary, we find that the maximum of the SRE generically occurs at a cusp away from the quantum critical point, where the derivative suddenly changes sign. Furthermore, we compare the SRE and the logarithm of overlaps with specific stabilizer states, asymptotically realised in the ground state phase diagrams of these systems. We find that they display strikingly similar behaviors, which in turn establish rigorous bounds on the min-relative entropy of magic.
Quantum entanglement and quantum magic are two distinct fundamental resources that enable quantum systems to exhibit complex phenomena beyond the capabilities of classical computer simulations. While quantum entanglement has been extensively used to characterize both equilibrium and dynamical phases, the study of quantum magic, typically quantified by the stabilizer Rényi entropy (SRE), remains largely limited to numerical simulations of moderate system sizes. In this Letter, we establish a general framework for analyzing the SRE in solvable Sachdev-Ye-Kitaev models in the large-N limit, which enables the application of the saddle-point approximation. Applying this method to the Maldacena-Qi coupled Sachdev-Ye-Kitaev model, we identify a series of first-order transitions of the SRE as the temperature is tuned. In particular, we uncover an intrinsic transition of the SRE that cannot be detected through thermodynamic quantities. We also discuss the theoretical understanding of the SRE in both the high-temperature and low-temperature limits. Our results pave the way for studying the SRE in strongly correlated fermionic systems in the thermodynamic limit and suggest a new class of transitions for which the SRE serves as an order parameter.
Recent proposals of measuring bipartite Renyi entropy experimentally involve techniques that hold exactly for non-interacting quantum particles. Here we consider the difference between such measurements and the actual Renyi entropy for ground state fermion ab initio molecular systems. To calculate various entanglement measures we extended several different techniques for use with variational Monte Carlo, Hartree-Fock and quantum chemistry methods. Our results show that in systems with strong electron correlations the Renyi entropy may not be accurately determined with the proposed measurements. In addition, we find significant physical insight can be gained by calculating entanglement properties in molecular systems. We see that the Renyi entropy and the entanglement Hamiltonian encode information about the character of the covalent bonds in a molecular system and that such information may lead to better descriptions of bonded systems that have been traditionally hard to describe with standard techniques. In particular our results for the C2 dimer suggests all eight valence electrons play a significant role in covalent bonding.
Non-stabilizerness and entanglement in (2+1)-dimensional SU(2) lattice gauge theory using tensor networks
We study non-stabilizerness (magic) in the ground state of (2+1)-dimensional SU(2) Hamiltonian lattice gauge theory with matter, formulated in the dressed-site basis in the hardcore-gluon truncation and restricted to the zero baryon-number sector. Using matrix product states, we compute three facets of magic: the second-order stabilizer Rényi entropy (SRE) M2, its non-local component M2NL, estimated by the SRE M2(ψ~) of the computational-basis Schmidt representative ψ~, and a lower bound in terms of the anti-flatness F of the entanglement spectrum. We also prove a stronger form of the sandwich relation: −log2(1−4F)≤M2NL≤M2; the lower bound rests on a stronger inequality that we obtain for arbitrary Schmidt bases and rank, with an optimal constant. Combined with recent results, this yields the unconditional bracket max{−log2(1−4F),M2(ψ~)−4}≤M2NL≤M2(ψ~). We emphasize a structural distinction that makes the non-local quantities the physically preferred diagnostics: whereas the full SRE depends on the (non-unique) encoding of the gauge-invariant local Hilbert space into qubits, the non-local magic, its estimate M2(ψ~), and the anti-flatness are invariant under site-local re-encodings and are therefore intrinsic to the state and bipartition. By varying the gauge coupling for two values of the fermion mass on lattices up to 8×8 (∼288 qubits) with bond dimension up to 128, we find that the non-local magic, as estimated by M2(ψ~), furnishes a sharper and more bond-dimension-friendly probe of the gauge-matter delocalization crossover compared to the full SRE or the gauge-invariant entanglement entropy, retaining a clear signal at bond dimensions well below those needed to converge the ground state itself.
We introduce a methodology to estimate nonstabilizerness or “magic,” a key resource for quantum complexity, with neural quantum states (NQS). Our framework relies on two schemes based on Monte Carlo sampling to quantify nonstabilizerness via stabilizer Rényi entropy (SRE) in arbitrary variational wave functions. When combined with NQS, this approach is effective for systems with strong correlations and in dimensions larger than one, unlike tensor network methods. First, we study the magic content in an ensemble of random NQS, demonstrating that neural network parametrizations of the wave function capture finite nonstabilizerness besides large entanglement. Second, we investigate the nonstabilizerness in the ground state of the J 1 − J 2 Heisenberg model. In one dimension, we find that the SRE vanishes at the Majumdar-Ghosh point J 2 = J 1 / 2 , consistent with a stabilizer ground state. In two dimensions, a dip in the SRE is observed near maximum frustration around J 2 / J 1 ≈ 0.6 , suggesting a valence bond solid between the two antiferromagnetic phases.