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We investigate the use of matrix product states (MPS) to approximate ground states of critical quantum spin chains with periodic boundary conditions (PBC). We identify two regimes in the (N,D) parameter plane, where N is the size of the…

We describe a matrix product state (MPS) extension for the Fermionic Quantum Emulator (FQE) software library. We discuss the theory behind symmetry adapted matrix product states for approximating many-body wavefunctions of spin-1/2…

In this work, we develop a stochastic matrix product state (stoMPS) approach that combines the MPS technique and Monte Carlo samplings and can be applied to simulate quantum lattice models down to low temperature. In particular, we exploit…

The generalization of matrix product states (MPS) to continuous systems, as proposed in the breakthrough paper [F. Verstraete, J.I. Cirac, Phys. Rev. Lett. 104, 190405(2010)], provides a powerful variational ansatz for the ground state of…

The Chebyshev expansion offers a numerically efficient and easy-implement algorithm for evaluating dynamic correlation functions using matrix product states (MPS). In this approach, each recursively generated Chebyshev vector is…

A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation…

In the framework of mapped pseudospectral methods, we introduce a new polynomial-type mapping function in order to describe accurately the dynamics of systems developing almost singular structures. Using error criteria related to the…

Perturbation theory is a powerful tool for studying large-scale structure formation in the universe and calculating observables such as the power spectrum or bispectrum. However, beyond linear order, typically this is done by assuming a…

Tensor product state (TPS) based methods are powerful tools to efficiently simulate quantum many-body systems in and out of equilibrium. In particular, the one-dimensional matrix-product (MPS) formalism is by now an established tool in…

This research focuses on solving time-dependent partial differential equations (PDEs), in particular the time-dependent Schr\"odinger equation, using matrix product states (MPS). We propose an extension of Hermite Distributed Approximating…

In this paper we extend a number of important results of the classical Chebyshev approximation theory to the case of simultaneous approximation of two or more functions. The need for this extension is application driven, since such kind of…

A way of constructing continuous matrix product states (cMPS) for coupled fields is presented here. The cMPS is a variational \emph{ansatz} for the ground state of quantum field theories in one dimension. Our proposed scheme is based in the…

Molecular fragment or embedding methods are powerful techniques for overcoming scalability limitations in electronic structure theory by dividing large molecular systems into individual units that are small enough to be treated using…

As in the density matrix renormalization group (DMRG) method, approximating many-body wave function of electrons using a matrix product state (MPS) is a promising way to solve electronic structure problems. The expressibility of an MPS is…

Cluster Perturbation Theory (CPT) is a technique for computing the spectral function of fermionic models with local interactions. By combining the solution of the model on a finite cluster with perturbation theory on intra-cluster hoppings,…

We present a variational matrix product state (vMPS) for the ground state of the spin-1/2 Heisenberg model. The MPS effectively organizes the various dimer configurations, in faithful reflection of the resonating valence bond (RVB) picture…

Matrix Product States (MPS) are used for the simulation of the real-time dynamics induced by an electric quench on the vacuum state of the massive Schwinger model. For small quenches it is found that the obtained oscillatory behavior of…

Systems of correlated quantum matter can be a steep challenge to any would-be method of solution. Matrix-product state (MPS)-based methods can describe 1D systems quasiexactly, but often struggle to retain sufficient bipartite entanglement…

We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (> 1000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham…

Interior eigenvalue problems for large-scale sparse Hermitian matrices are fundamental in computational science. We propose an adaptive polynomial filtering strategy based on Chebyshev expansion of a step function, integrated into a…