Related papers: Augmenting Density Matrix Renormalization Group wi…
The density matrix renormalization group (DMRG) method is applied to the interaction round a face (IRF) model. When the transfer matrix is asymmetric, singular-value decomposition of the density matrix is required. A trial numerical…
Tensor Networks are non-trivial representations of high-dimensional tensors, originally designed to describe quantum many-body systems. We show that Tensor Networks are ideal vehicles to connect quantum mechanical concepts to machine…
The presence of many degenerate $d/f$ orbitals makes polynuclear transition metal compounds such as iron-sulfur clusters in nitrogenase challenging for state-of-the-art quantum chemistry methods. To address this challenge, we present the…
Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate electron dynamics, the time-dependent density matrix…
The density matrix renormalization group (DMRG) algorithm is a popular alternating minimization scheme for solving high-dimensional optimization problems in the tensor train format. Classical DMRG, however, is based on sequential…
The matrix product state (MPS) belongs to the most important mathematical models in, for example, condensed matter physics and quantum information sciences. However, to realize an $N$-qubit MPS with large $N$ and large entanglement on a…
We investigate convergence of the density matrix renormalization group (DMRG) in the thermodynamic limit for gapless systems. Although the DMRG correlations always decay exponentially in the thermodynamic limit, the correlation length at…
The particle-hole version of the density-matrix renormalization-group method (PH-DMRG) is utilized to calculate the ground-state energy of an interacting two-dimensional quantum dot. We show that a modification of the method, termed…
We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems.The dynamical DMRG is used to compute the linear response of a…
We present a unified framework for renormalization group methods, including Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG), within the language of matrix product states. This allows…
We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications in a…
We propose a novel many-body framework combining the density matrix renormalization group (DMRG) with the valence-space (VS) formulation of the in-medium similarity renormalization group. This hybrid scheme admits for favorable…
We employ the density matrix renormalization group (DMRG) and the wave function factorization method for the numerical solution of large scale nuclear structure problems. The DMRG exhibits an improved convergence for problems with realistic…
The infinite Density Matrix Renormalisation Group (iDMRG) algorithm is a highly successful numerical algorithm for the study of low-dimensional quantum systems, and is also frequently used to initialise the more popular finite DMRG…
We present an integrated multiscale framework that combines the Density Matrix Renormalization Group (DMRG) with a polarizable fluctuating-charge (FQ) force field for the simulation of electronic excited states in solution. The method…
We perform quantum simulation on classical and quantum computers and set up a machine learning framework in which we can map out phase diagrams of known and unknown quantum many-body systems in an unsupervised fashion. The classical…
Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…
Based on the original idea of the density matrix renormalization group (DMRG), i.e. to include the missing boundary conditions between adjacent blocks of the blocked quantum system, we present a rigorous and nonperturbative mathematical…
The numerical renormalization group (NRG) is rephrased as a variational method with the cost function given by the sum of all the energies of the effective low-energy Hamiltonian. This allows to systematically improve the spectrum obtained…
Ground-state preparation is a fundamental task in quantum simulation, because the overlap of the prepared state with the true ground state significantly affects the overall cost of subsequent quantum algorithms. We propose a three-stage…