Related papers: Ab Initio Quantum Chemistry using the Density Matr…
We study one dimensional models of diatomic molecules where both the electrons and nuclei are treated as quantum particles, going beyond the usual Born-Oppenheimer approximation. The continuous system is approximated by a grid which…
Given a Hamiltonian with a continuous symmetry one can generally factorize that symmetry and consider the dynamics on invariant Hilbert Spaces. In Statistical Mechanics this procedure is known as the vertex-IRF map, and in certain cases,…
In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favourable…
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…
A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…
Electronic and/or vibronic coherence has been found by recent ultrafast spectroscopy experiments in many chemical, biological and material systems. This indicates that there are strong and complicated interactions between electronic states…
We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix…
QCMaquis is a quantum chemistry software package for general molecular structure calculations in a matrix product state/matrix product operator formalism of the density matrix renormalization group (DMRG). It supports a wide range of…
Expanding and improving the repertoire of numerical methods for studying quantum lattice models is an ongoing focus in many-body physics. While the density matrix renormalization group (DMRG) has been established as a practically useful…
We describe the Density Matrix Renormalization Group algorithms for time dependent and time independent Hamiltonians. This paper is a brief but comprehensive introduction to the subject for anyone willing to enter in the field or write the…
We developed a density matrix renormalization-group technique to study quantum Hall fractions of fast rotating bosons. In this paper we present a discussion of the method together with the results which we obtain in three distinct cases of…
Density Matrix Renormalization Group (DMRG) or Matrix Product States (MPS) are widely acknowledged as highly effective and accurate methods for solving one-dimensional quantum many-body systems. However, the direct application of DMRG to…
We study the ground state quantum phase transition by means of entanglement in the one-dimensional asymmetric Hubbard model with open boundary condition. The local entanglement between the middle two sites and the rest of the system, and…
The recently proposed combination of the valence-space in-medium similarity renormalization group (VS-IMSRG) with the density matrix renormalization group (DMRG) offers a scalable and flexible many-body approach for strongly correlated…
We theoretically derive and validate with large scale simulations a remarkably accurate power law scaling of errors for the restricted active space density matrix renormalization group (DMRG-RAS) method [arXiv:2111.06665] in electronic…
The spectra which occur in numerical density-matrix renormalization group (DMRG) calculations for quantum chains can be obtained analytically for integrable models via corner transfer matrices. This is shown in detail for the transverse…
We summarize our recent results on the large N renormalization group (RG) approach to matrix models for discretized two-dimensional quantum gravity. We derive exact RG equations by solving the reparametrization identities, which reduce…
We present a simple method, combining the density-matrix renormalization-group (DMRG) algorithm with finite-size scaling, which permits the study of critical behavior in quantum spin chains. Spin moments and dimerization are induced by…
We extend the spin-adapted density matrix renormalization group (DMRG) algorithm of McCulloch and Gulacsi [Europhys. Lett.57, 852 (2002)] to quantum chemical Hamiltonians. This involves two key modifications to the non-spin-adapted DMRG…
In applications of the density matrix renormalization group to nonhermitean problems, the choice of the density matrix is not uniquely prescribed by the algorithm. We demonstrate that for the recently introduced stochastic transfer matrix…