Related papers: A density-matrix renormalization group algorithm f…
We present, to the best of our knowlegde, the first attempt to exploit the supercomputer platform for quantum chemical density matrix renormalization group (QC-DMRG) calculations. We have developed the parallel scheme based on the in-house…
We develop a correction to the density matrix used in density matrix renormalization group calculations to take into account the incompleteness of the environment block. The correction allows successful calculations using only a single site…
The renormalization group is a tool that allows one to obtain a reduced description of systems with many degrees of freedom while preserving the relevant features. In the case of quantum systems, in particular, one-dimensional systems…
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…
We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational…
We propose an initialization procedure for the density-matrix renormalization group (DMRG): {\it the recursive sweep method}. In a conventional DMRG calculation, the infinite-algorithm, where two new sites are added to the system at each…
Inspired by the superblock method of White, we introduce a simple modification of the standard Renormalization Group (RG) technique for the study of quantum lattice systems. Our method which takes into account the effect of Boundary…
The Density Matrix Renormalization Group (DMRG) method scales exponentially in the system width for models in two dimensions, but remains one of the most powerful methods for studying 2D systems with a sign problem. Reviewing past…
Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…
We explore the universal signatures of quantum phase transitions that can be extracted with the density matrix renormalization group (DMRG) algorithm applied to quantum chains with a gradient. We present high-quality data collapses for the…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
In a recent Letter [Phys. Rev. Lett. 88, 256403(2002), cond-mat/0109158] Cazalilla and Marston proposed a time-dependent density- matrix renormalization group (TdDMRG) algorithm for the accurate evaluation of out-of-equilibrium properties…
We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…
The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…
An algorithm for the simulation of the evolution of slightly entangled quantum states has been recently proposed as a tool to study time-dependent phenomena in one-dimensional quantum systems. Its key feature is a time-evolving…
We have extended the density matrix renormalization group (DMRG) approach to two-fluid open many-fermion systems governed by complex-symmetric Hamiltonians. The applications are carried out for three- and four-nucleon (proton-neutron)…
Impressive progress has been made in the past decade in the study of technological applications of varied types of quantum systems. With industry giants like IBM laying down their roadmap for scalable quantum devices with more than…
We introduce a Lagrangian formulation of the Density Matrix Renormalization Group (DMRG). We present Lagrangians which when minimised yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz,…
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…