DMRG Preprints

Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalization group (DMRG) scale exponentially with system size. Downfolding and embedding approaches mitigate this cost but typically require prior selection of a correlated subspace, which can be difficult to determine in heterogeneous or extended systems. Here, we introduce a stochastic cluster expansion framework for efficiently recovering the total correlation energy of large systems with near-DMRG accuracy, without the need to select an active space a priori. By combining correlation contributions from randomly sampled environment orbitals with an exactly treated subspace of interest, the method reproduces total energies for non-reacting and reactive systems while drastically reducing computational cost. The approach also provides a quantitative diagnostic for molecule-solvent correlation, guiding principled embedding decisions. This framework enables systematically improvable many-body calculations in extended systems, opening the door to high-accuracy studies of chemical processes in condensed phase environments.

We propose an index of non-invertible symmetry operators in 1+1 dimensions and discuss its relation to the realizability of non-invertible symmetries on the tensor product of finite dimensional on-site Hilbert spaces on the lattice. Our index generalizes the Gross-Nesme-Vogts-Werner index of invertible symmetry operators represented by quantum cellular automata (QCAs). Assuming that all fusion channels of symmetry operators have the same index, we show that the fusion rules of finitely many symmetry operators on a tensor product Hilbert space can agree, up to QCAs, only with those of weakly integral fusion categories. We also discuss an attempt to establish an index theory for non-invertible symmetries within the framework of tensor networks. To this end, we first propose a general class of matrix product operators (MPOs) that describe non-invertible symmetries on a tensor product Hilbert space. These MPOs, which we refer to as topological injective MPOs, include all invertible symmetries, non-anomalous fusion category symmetries, and the Kramers-Wannier symmetries for finite abelian groups. For topological injective MPOs, we construct the defect Hilbert spaces and the corresponding sequential quantum circuit representations. We also show that all fusion channels of topological injective MPOs have the same index if there exist fusion and splitting tensors that satisfy appropriate conditions. The existence of such fusion and splitting tensors has not been proven in general, although we construct them explicitly for all examples of topological injective MPOs listed above.

Preparing arbitrary quantum states requires exponential resources. Matrix Product States (MPS) admit more efficient constructions, particularly when accuracy is traded for circuit complexity. Existing approaches to MPS preparation mostly rely on heuristic circuits that are deterministic but quickly saturate in accuracy, or on variational optimization methods that reach high fidelities but scale poorly. This work introduces an end-to-end MPS preparation framework that combines the strengths of both strategies within a single pipeline. Heuristic staircase-like and brick wall disentangler circuits provide warm-start initializations for variational optimization, enabling high-fidelity state preparation for large systems. Target MPSs are either specified as physical quantum states or constructed from classical datasets via amplitude encoding, using step-by-step singular value decompositions or tensor cross interpolation. The framework incorporates entanglement-based qubit reordering, reformulated as a quadratic assignment problem, and low-level optimizations that reduce depths by up to 50% and CNOT counts by 33%. We evaluate the full pipeline on datasets of varying complexity across systems of 19-50 qubits and identify trade-offs between fidelity, gate count, and circuit depth. Optimized brick wall circuits typically achieve the lowest depths, while the optimized staircase-like circuits minimize gate counts. Overall, our results provide principled and scalable protocols for preparing MPSs as quantum circuits, supporting utility-scale applications on near-term quantum devices.

We investigate the multi-particle states of the (1+1)-dimensional Ising model using a spectroscopy scheme based on the tensor renormalization group method. We start by computing the finite-volume energy spectrum of the model from the transfer matrix, which is numerically estimated using the coarse-grained tensor network. We then identify the quantum number and momentum of the eigenstates by using the symmetries of the system and the matrix elements of an appropriate interpolating operator. Next, we plot the energy for a particular quantum number and momentum as a function of system size to identify the number of particles in the corresponding energy eigenstates. With this method, we obtain one-, two-, and three-particle states. We also compute the two-particle scattering phase shift using Lüscher's formula as well as the wave function approach, and compare the results with the exact prediction.

Motivated by the recent experimental discovery of the $T$-linear specific heat in pressurized and magnetized Shastry-Sutherland Mott insulator SrCu$_2$(BO$_3$)$_2$, we perform the state-of-the-art thermal tensor-network computation on the Shastry-Sutherland model under a magnetic field. Our simulation results suggest the existence of a symmetric intermediate phase with $T$-linear specific heat at low temperature, occupying a large parameter space and separating the plaquette-singlet phase and antiferromagnetic phase at low fields and other symmetry-breaking phases at high fields before the system is fully polarized. Such an unexpected novel state bears an astonishing similarity to the experimental findings in the material. It opens the door to further investigations of the possible liberation of deconfined magnetized Dirac spinons by the competing interactions in this highly frustrated quantum magnet model, and by the combined effects of magnetic field and pressure in the the associated Shastry-Sutherland Mott insulator SrCu$_2$(BO$_3$)$_2$.

The undoped Kondo necklace in 1D is a paradigmatic and well understood model of a Kondo insulator. This work performs the first large-scale study of the 1D Anderson-lattice underlying the Kondo necklace with quasi-exact numerical methods, comparing this with the perturbative effective 1D Kondo-necklace model derived from the former. This study is based on an exact mapping of the Anderson model to one of a superconducting pairing layer connected to a metallic reservoir which is valid in arbitrary spatial dimensions, thereby linking the previously disparate areas of reservoir-enhanced superconductivity, following Kivelson's pioneering proposals, and that of periodic Kondo-systems. Our work reveals that below the length-scales on which the insulating state sets in, which can be very large, superconducting and density-density correlations are degenerate and may both appear to approach an almost ordered state, to a degree that far exceeds that of any isolated 1D pairing layer with short-range interactions. We trace these effects to the effective extended-range coupling that the metallic layer mediates within the pairing layer. These results translate directly to the appearance of near-long-range magnetic order at intermediate scales in the Kondo-systems, and explain the strong renormalization of the RKKY-coupling that we effectively observe, in terms of the back-action of the pairing layer onto the metallic layer. The effects we predict could be tested either by local probes of quasi-1D heavy fermion compounds such as CeCo$_2$Ga$_8$, in engineered chains of ad-atoms or in ultracold atomic gases.

We study Rokhsar-Kivelson (RK) dimer and spin ice models realizing $U(1)$-lattice gauge theories in a wide class of quasi-one-dimensional settings, which define a setup for the study of few quantum strings (closed electric field lines) interacting with themselves and each other. We discover a large collection of mappings of these models onto three quantum chains: the spin-1/2 XXZ chain, a spin-1 chain, and a kinetically constrained fermion chain whose configurations are best described in terms of tilings of a rectangular strip. We show that the twist of boundary conditions in the chains maps onto the transverse momentum of the electric field string, and their Drude weight to the inverse of the string mass per unit length. We numerically determine the phase diagrams for these spin chains, employing DMRG simulations and find global similarities but also many interesting new features in comparison to the full 2D problems. For example, the spin-1 chain we obtain features a continuous family of degenerate ground states at its RK point analogous to a Bloch sphere, but without an underlying microscopic global $SU(2)$ symmetry. We also argue for the existence of a (stable) Landau-forbidden gapless critical point away from the RK point in one of the models we study using bosonization and numerics. This is surprising given that the full 2D problem is generically gapped away from the RK point. The same model also displays extensively many local conserved quantities which fragment the Hilbert space, arising as a consequence of destructive resonances between the electric field lines. Our findings highlight spin-chain mappings as a potent technique for the exploration of unusual dynamics, exotic criticality, and low-energy physics in lattice gauge theories.

Entanglement percolation aims at generating maximal entanglement between any two nodes of a quantum network by utilizing strategies based solely on local operations and classical communication between the nodes. As it happens in classical percolation theory, the topology of the network is crucial, but also the entanglement shared between the nodes of the network. In a network of identically partially entangled states, the network topology determines the minimum entanglement needed for percolation. In this work, we generalize the protocol to scenarios where the initial entanglement shared between each two nodes of the network is not the same but has some randomness. In such cases, we find that for classical entanglement percolation, only the average initial entanglement is relevant. In contrast, the quantum entanglement percolation protocol generally performs worse under these more realistic conditions.

The Kramers-Wannier transformation of the 1+1d transverse-field Ising model exchanges the paramagnetic and ferromagnetic phases and, at criticality, manifests as a non-invertible symmetry. Extending such self-duality symmetries beyond gauging of abelian groups in tensor-product Hilbert spaces has, however, remained challenging. In this work, we construct a generalized 1+1d Ising model based on a finite-dimensional semisimple Hopf algebra $H$ that enjoys an anomaly-free non-invertible symmetry $\mathrm{Rep}(H)$. We provide an intuitive diagrammatic formulation of both the Hamiltonian and the symmetry operators using a non-(co)commutative generalization of ZX-calculus built from Hopf-algebraic data. When $H$ is self-dual, we further construct a generalized Kramers-Wannier duality operator that exchanges the paramagnetic and ferromagnetic phases and becomes a non-invertible symmetry at the self-dual point. This enlarged symmetry mixes with lattice translation and, in the infrared, flows to a weakly integral fusion category given by a $ℤ_2$ extension of $\mathrm{Rep}(H)$. Specializing to the Kac-Paljutkin algebra $H_8$, the smallest self-dual Hopf algebra beyond abelian group algebras, we numerically study the phase diagram and identify four of the six $\mathrm{Rep}(H_8)$-symmetric gapped phases, separated by Ising critical lines and meeting at a multicritical point. We also realize all six $\mathrm{Rep}(H_8)$-symmetric gapped phases on the lattice via the $H$-comodule algebra formalism, in agreement with the module-category classification of $\mathrm{Rep}(H_8)$. Our results provide a unified Hopf-algebraic framework for non-invertible symmetries, dualities, and the tensor product lattice models that realize them.

Motivated by the recent discovery of superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_7$ (LNO) under pressure, we study a mixed-dimensional (mixD) bilayer $t_\parallel$-$J_\parallel$-$J_\perp$ model, which has been proposed as an effective low-energy description of LNO. Using neural quantum states (NQS), and in particular Gutzwiller-projected Hidden Fermion Pfaffian State, we access the ground-state properties on large lattices up to $8\times 8\times 2$ sites. We show that this model exhibits superconductivity across a wide range of dopings and couplings, and analyze the pairing behavior in detail. We identify a crossover from tightly bound, Bose-Einstein-condensed interlayer pairs at strong interlayer exchange to more spatially extended Bardeen-Cooper-Schrieffer-like pairs as the interlayer exchange is decreased. Furthermore, upon tuning the intralayer exchange, we observe a sharp transition from interlayer $s$-wave pairing to intralayer $d$-wave pairing, consistent with a first-order change in the pairing symmetry. We verify that our simulations are accurate by comparing with matrix product state simulations on coupled ladders. Our results represent the first simulation of a fermionic multi-orbital system with NQS, and provide the first evidence for superconductivity in two-dimensonal bilayers using high-precision numerics. These findings provide insight into superconductivity in bilayer nickelates and cold atom quantum simulation platforms.