Related papers: The Density Matrix Renormalization Group in Chemis…
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…
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that…
The real time evolution and relaxation of expectation values of quantum fields and of quantum states are computed as initial value problems by implementing the dynamical renormalization group (DRG).Linear response is invoked to set up the…
Nematic order is an exotic property observed in several strongly correlated systems, such as the iron-based superconductors. Using large-scale density matrix renormalization group (DMRG) techniques, we study at zero-temperature the nematic…
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…
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…
A brief review of the interaction-round-a-face (IRF) density-matrix renormalization-group (DMRG) method. We have demonstrated the numerical superiority of IRF-DMRG method applied to SU(2) invariant quantum spin chains over the conventional…
Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions. Here, we review developments that led to our newcomputational toolbo x…
Dense relativistic matter has attracted a lot of attention over many decades now, with a focus on an understanding of the phase structure and thermodynamics of dense strong-interaction matter. The analysis of dense strong-interaction matter…
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…
We investigate the application of the Density Matrix Renormalization Group (DMRG) to the Hubbard model in momentum-space. We treat the one-dimensional models with dispersion relations corresponding to nearest-neighbor hopping and $1/r$…
The spin 1/2 XXZ chain in a random magnetic field pointing in the Z direction is numerically studied using the Density Matrix Renormalization Group (DMRG) method. The phase diagram as a function of the anisotropy of the XXZ Hamiltonian and…
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…
Quantum computing offers the potential for computational abilities that can go beyond classical machines. However, they are still limited by several challenges such as noise, decoherence, and gate errors. As a result, efficient classical…
We present an overview of the Density Matrix Renormalization Group and its connections to Quantum Groups, Matrix Products and Conformal Field Theory. We emphasize some common formal structures in all these theories. We also propose…
The Kato-Bloch perturbation formalism is used to present a density-matrix renormalization-group (DMRG) method for strongly anisotropic two-dimensional systems. This method is used to study Heisenberg chains weakly coupled by the transverse…
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 introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes the wave function as a product of a fixed Jastrow or…
We have applied the momentum space version of the Density Matrix Renormalization Group method ($k$-DMRG) in quantum chemistry in order to study the accuracy of the algorithm in the new context. We have shown numerically that it is possible…
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…