We prove that ground states of gapped local Hamiltonians on an infinite spin chain can be efficiently approximated by matrix product states with a bond dimension which scales as D~(L-1)/epsilon, where any local quantity on L consecutive spins is approximated to accuracy epsilon.
While general quantum many-body systems require exponential resources to be simulated on a classical computer, systems of non-interacting fermions can be simulated exactly using polynomially scaling resources. Such systems may be of interest in their own right, but also occur as effective models in numerical methods for interacting systems, such as Hartree-Fock, density functional theory, and many others. Often it is desirable to solve systems of many thousand constituent particles, rendering these simulations computationally costly despite their polynomial scaling. We demonstrate how this scaling can be improved by adapting methods based on matrix product states, which have been enormously successful for low-dimensional interacting quantum systems, to the case of free fermions. Compared to the case of interacting systems, our methods achieve an exponential speedup in the entanglement entropy of the state. We demonstrate their use to solve systems of up to one million sites with an effective MPS bond dimension of 10^15.
We present a unified framework for renormalization group methods, including Wilsons numerical renormalization group (NRG) and Whites density-matrix renormalization group (DMRG), within the language of matrix product states. This allows improvements over Wilsons NRG for quantum impurity models, as we illustrate for the one-channel Kondo model. Moreover, we use a variational method for evaluating Greens functions. The proposed method is more flexible in its description of spectral properties at finite frequencies, opening the way to time-dependent, out-of-equilibrium impurity problems. It also substantially improves computational efficiency for one-channel impurity problems, suggesting potentially emph{linear} scaling of complexity for $n$-channel problems.
The density-matrix renormalization group method has become a standard computational approach to the low-energy physics as well as dynamics of low-dimensional quantum systems. In this paper, we present a new set of applications, available as part of the ALPS package, that provide an efficient and flexible implementation of these methods based on a matrix-product state (MPS) representation. Our applications implement, within the same framework, algorithms to variationally find the ground state and low-lying excited states as well as simulate the time evolution of arbitrary one-dimensional and two-dimensional models. Implementing the conservation of quantum numbers for generic Abelian symmetries, we achieve performance competitive with the best codes in the community. Example results are provided for (i) a model of itinerant fermions in one dimension and (ii) a model of quantum magnetism.
We develop a numerical method based on matrix product states for simulating quantum many-body systems at finite temperatures without importance sampling and evaluate its performance in spin 1/2 systems. Our method is an extension of the random phase product state (RPPS) approach introduced recently [T. Iitaka, arXiv:2006.14459]. We show that the original RPPS approach often gives unphysical values for thermodynamic quantities even in the Heisenberg chain. We find that by adding the operation of Trotter gates to the RPPS, the sampling efficiency of the approach significantly increases and its results are consistent with those of the purification approach. We also apply our method to a frustrated spin 1/2 system to exemplify that it can simulate a system in which the purification approach fails.
We quantify how well matrix product states approximate exact ground states of 1-D quantum spin systems as a function of the number of spins and the entropy of blocks of spins. We also investigate the convex set of local reduced density operators of translational invariant systems. The results give a theoretical justification for the high accuracy of renormalization group algorithms, and justifies their use even in the case of critical systems.