Related papers: Impurity corrections to the thermodynamics in spin…
Dynamic autocorrelations $<S_i^{\alpha}(t) S_i^{\alpha}>$ (\alpha=x,z) of an isolated impurity spin in a S=1/2 XX chain are calculated. The impurity spin, defined by a local change in the nearest-neighbor coupling, is either in the bulk or…
The single impurity problem in a spinful Tomonaga-Luttinger liquid is studied numerically using path-integral Monte Carlo methods. The advantage of our approach is that the system allows for extensive analyses of charge and spin conductance…
The finite temperature transport properties of a spin-1/2 anisotropic Heisenberg chain with an embedded spin-S impurity are studied. Using primarily numerical diagonalization techniques, we study the dependence of the dynamical spin and…
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…
We study a Kondo impurity model with additional uniaxial anisotropy D in a non-zero magnetic field B using the Numerical Renormalization Group (NRG). The ratio g_e/g_S of electron and impurity g-factor is regarded as a free parameter and,…
In the context of tensor network states, we for the first time reformulate the corner transfer matrix renormalization group (CTMRG) method into a variational bilevel optimization algorithm. The solution of the optimization problem…
The density matrix renormalization group (DMRG) is a celebrated tensor network algorithm, which computes the ground states of one-dimensional quantum many-body systems very efficiently. Here we propose an improved formulation of continuous…
Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost. Traditional methods, such as complete active space…
The symmetrized Density-Matrix-Renormalization-Group (DMRG) method is used to study linear and nonlinear optical properties of Free base porphine and metallo-porphine. Long-range interacting model, namely, Pariser-Parr-Pople (PPP) model is…
Tensor network algorithms have been remarkably successful solving a variety of problems in quantum many-body physics. However, algorithms to optimize two-dimensional tensor networks known as PEPS lack many of the aspects that make the…
The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its matrix representation scale exponentially with the number of degrees of freedom.…
In this paper we give an introduction to the numerical density matrix renormalization group (DMRG) algorithm, from the perspective of the more general matrix product state (MPS) formulation. We cover in detail the differences between the…
Using the bosonization technique, we have studied a spin-1/2 magnetic impurity in Heisenberg chain, and shown that the impurity specific heat and spin susceptibility have an anomalous temperature dependence.
White's density matrix renormalization group ({DMRG}) method has been applied to an $S= 1/2 + 1/2$ composite-spin model, which can also be considered as a two-leg ladder model. By appropriate choices of the coupling constants this model…
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…
A numerical approach to ground-state dynamical correlation functions from Density Matrix Renormalization Group (DMRG) is developed. Using sum rules, moments of a dynamic correlation function can be calculated with DMRG, and with the moments…
We present for the first time time-dependent density-matrix renormalization-group simulations (t-DMRG) at finite temperatures. It is demonstrated how a combination of finite-temperature t-DMRG and time-series prediction allows for an easy…
The bulk properties and impurity effect in the one-dimensional S=1/2 Heisenberg model with dimerization and next-nearest-neighbor exchange are studied by the density matrix renormalization group (DMRG) and exact diagonalization methods.…
A new approach to large-scale nuclear structure calculations, based on the Density Matrix Renormalization Group (DMRG), is described. The method is tested in the context of a problem involving many identical nucleons constrained to move in…
We extend the density matrix renormalization group method to exploit Parity, $C_2$ (rotation by $\pi$) and electron-hole symmtries of model Hamiltonians. We demonstrate the power of this method by obtaining the lowest energy states in all…