We formulate a tangent-space method for algebraic varieties of matrix product states (MPS) to study excitation spectra of non-uniform quantum many-body systems with open boundary conditions. We further introduce a rank tomography of the MPS tangent space, which characterizes its expressivity in terms of particle-sector rank profiles of the underlying MPS variety. Using the Bose--Hubbard model as a benchmark, we illustrate that the method reproduces low-lying excitations and captures finite-size precursors of the Mott-insulator to superfluid transition.
We formulate a tangent-space method for algebraic varieties of matrix product states (MPS) to study excitation spectra of non-uniform quantum many-body systems with open boundary conditions. We further introduce a rank tomography of the MPS tangent space, which characterizes its expressivity in terms of particle-sector rank profiles of the underlying MPS variety. Using the Bose--Hubbard model as a benchmark, we illustrate that the method reproduces low-lying excitations and captures finite-size precursors of the Mott-insulator to superfluid transition.
We introduce a simple and efficient variation of the tangent-space excitation Ansatz used to compute elementary excitation spectra of one-dimensional quantum lattice systems using matrix product states (MPS). A small basis for the excitation tensors is formed based on a single diagonalization analogous to a single site DMRG step but for multiple states. Once overlap and Hamiltonian matrix elements are found, obtaining the excitation for any momentum only requires diagonalization of a tiny matrix, akin to a non-orthogonal band-theory diagonalization. The approach is based on an infinite MPS description of the ground state, and we introduce an extremely simple alternative to variational uniform matrix product states (VUMPS) based on finite system DMRG. For the S=1 S = 1 Heisenberg chain, our method—site basis excitation Ansatz (SBEA)—efficiently produces the one-magnon dispersion with high accuracy. We also examine the role of MPS gauge choices, finding that not imposing a gauge condition—leaving the basis nonorthogonal—is crucial for the approach, whereas imposing a left-orthonormal gauge (as in prior work) severely hampers convergence. We also show how one can construct Wannier excitations, analogous to the Wannier functions of band theory, where one Wannier excitation, translated to all sites, can reconstruct the single magnon modes exactly for all momenta.
The advancement of quantum simulators motivates the development of a theoretical framework to assist with efficient state preparation in quantum many-body systems. Generally, preparing a target entangled state via unitary evolution with time-dependent couplings is a challenging task and very little is known about the existence of solutions and their properties. In this work we develop a constructive approach for preparing matrix product states (MPS) via continuous unitary evolution. We provide an explicit construction of the operator that exactly implements the evolution of a given MPS along a specified direction in its tangent space. This operator can be written as a sum of local terms of finite range, yet it is in general non-Hermitian. Relying on the explicit construction of the non-Hermitian generator of the dynamics, we demonstrate the existence of a Hermitian sequence of operators that implements the desired MPS evolution with an error that decreases exponentially with the operator range. The construction is benchmarked on an explicit periodic trajectory in a translationally invariant MPS manifold. We demonstrate that the Floquet unitary generating the dynamics over one period of the trajectory features an approximate MPS-like eigenstate embedded among a sea of thermalizing eigenstates. These results show that our construction is not only useful for state preparation and control of many-body systems, but also provides a generic route towards Floquet scars—periodically driven models with quasilocal generators of dynamics that have exact MPS eigenstates in their spectrum. Published by the American Physical Society 2024
Computing excitation spectra of quantum many-body systems is a promising avenue to demonstrate the practical utility of current noisy quantum devices, especially as we move toward the "megaquop" regime. For this task, here we introduce a tangent space excitation ansatz for quantum circuits, motivated by the quasiparticle picture of many-body systems and the structural similarity between quantum circuits and tensor networks. Increasing circuit depth by one layer to construct tangent space around the variational optimum of a parametrized quantum circuit, we show that massive low-energy single-particle states can be captured. Our ansatz relies on a distinct mechanism from that of the excitation ansatz in a matrix product state and projected entangled-pair state, and avoids intrinsic limitations of the latter. Comparing our approach with existing quantum excited-state algorithms, we find that with similar computational cost, both the number of excited states and accuracy are significantly improved. We demonstrate our ansatz in both one and two dimensions, and further show that this approach, implementable using the Hadamard test, is scalable and suitable for current quantum processors.
The tangent space of a tensor network state is a manifold that parameterizes the variational trajectory of local tensors. It leads to a framework to accommodate the time-dependent variational principle (TDVP), which unifies stationary and time-dependent methods for dealing with tensor networks. It also offers an ideal platform for investigating elementary excitations, including nontrivial topological excitations, in a quantum many-body system under the single-mode approximation. This chapter introduces the tangent-space approaches in the variational determination of MPS and PEPS, starting with a general discussion on the properties of the tangent vectors of uniform MPS. It then exemplifies TDVP by applying it to optimize the ground state MPS. Finally, the methods for calculating the excitation spectra in both one and two dimensions are explored and applied to the antiferromagnetic Heisenberg model on the square lattice.
Based on the matrix product state (MPS) formalism, we introduce an ansatz for capturing excited states in finite systems with open boundary conditions, providing a very efficient method for computing, e.g., the spectral gap of quantum spin chains. This method can be straightforwardly implemented on top of an existing density-matrix renormalization group or MPS ground-state code. Although this approach is built on open-boundary MPSs, we also apply it to systems with periodic boundary conditions. Despite the explicit breaking of translation symmetry by the MPS representation, we show that momentum emerges as a good quantum number and can be exploited for labeling excitations on top of MPS ground states. We apply our method to the critical Ising chain on a ring and the classical Potts model on a cylinder. Finally, we apply the same idea to compute excitation spectra for 2D quantum systems on infinite cylinders. Again, despite the explicit breaking of translation symmetry in the periodic direction, we recover momentum as a good quantum number for labeling excitations. We apply this method to the 2D transverse-field Ising model and the half-filled Hubbard model; for the latter, we obtain accurate results for, e.g., the hole dispersion for cylinder circumferences up to eight sites.
During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. The underlying matrix product state (MPS) ansatz is a low-rank decomposition of the full configuration interaction tensor. The virtual dimension of the MPS controls the size of the corner of the many-body Hilbert space that can be reached. Whereas the MPS ansatz will only yield an efficient description for noncritical one-dimensional systems, it can still be used as a variational ansatz for other finite-size systems. Rather large virtual dimensions are then required. The two most important aspects to reduce the corresponding computational cost are a proper choice and ordering of the active space orbitals, and the exploitation of the symmetry group of the Hamiltonian. By taking care of both aspects, DMRG becomes an efficient replacement for exact diagonalization in quantum chemistry. DMRG and Hartree-Fock theory have an analogous structure. The former can be interpreted as a self-consistent mean-field theory in the DMRG lattice sites, and the latter in the particles. It is possible to build upon this analogy to introduce post-DMRG methods. Based on an approximate MPS, these methods provide improved ansätze for the ground state, as well as for excitations. Exponentiation of the single-particle (single-site) excitations for a Slater determinant (an MPS with open boundary conditions) leads to the Thouless theorem for Hartree-Fock theory (DMRG), an explicit nonredundant parameterization of the entire manifold of Slater determinants (MPS wavefunctions). This gives rise to the configuration interaction expansion for DMRG. The Hubbard-Stratonovich transformation lies at the basis of auxiliary field quantum Monte Carlo for Slater determinants. An analogous transformation for spin-lattice Hamiltonians allows to formulate a promising variant for MPSs.