相关论文: Density matrix renormalization group algorithms fo…
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…
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…
We develop the tensor renormalization group (TRG) algorithm for statistical systems with open boundaries, which allows us to investigate not only the bulk but also the boundary property, such as the surface magnetization. We demonstrate…
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…
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…
Novel randomness-induced disordered ground states in two-dimensional (2D) quantum spin systems have been attracting much interest. For quantitative analysis of such random quantum spin systems, one of the most promising numerical approaches…
The generalization of Density Matrix Renormalization Group (DMRG) approach as implemented in quantum chemistry, to the case of non-orthogonal orbitals is carefully analyzed. This generalization is attractive from the physical point of view…
We describe a low cost alternative to the standard variational DMRG (density matrix renormalization group) algorithm that is analogous to the combination of selected configuration interaction plus perturbation theory (SCI+PT). We denote the…
White's density matrix renormalization group ({DMRG}) method has been applied to the one-dimensional Ising model in a transverse field ({ITF}), in order to study the accuracy of the numerical algorithm. Due to the exact solubility of the…
A zero-site density matrix renormalization algorithm (DMRG0) is proposed to minimize the energy of matrix product states (MPS). Instead of the site tensors themselves, we propose to optimize sequentially the "message" tensors between…
Numerical investigations of the XY model, the Heisenberg model and the J-J' Heisenberg model are conducted, using the exact diagonalisation, the numerical renormalisation and the density matrix renormalisation group approach. The low-lying…
We have proposed a density-matrix renormalization group (DMRG) scheme to optimize the one-electron basis states of molecules. It improves significantly the accuracy and efficiency of the DMRG in the study of quantum chemistry or other…
In order to optimize the ordering of the lattice sites in the momentum space and quantum chemistry versions of the density matrix renormalization group (DMRG) method we have studied the separability and entanglement of the target state for…
We implement an efficient strong-disorder renormalization-group (SDRG) procedure to study disordered tight-binding models in any dimension and on the Erdos-Renyi random graphs, which represent an appropriate infinite dimensional limit. Our…
A hybrid approach to nonequilibrium dynamics of quantum impurity systems is presented. The numerical renormalization group serves as a means to generate a suitable low-energy Hamiltonian, allowing for an accurate evaluation of the real-time…
We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schr\"odinger equation simultaneously for electrons and other quantum species. In contrast to already…
Real Space Renormalization Group (RSRG) techniques and their applications, mainly to quantum mechanics and to partial differential equations, are discussed. Special emphasis is given to the theoretical insight and the reasons for the…
We present a numerical implementation of the density matrix renormalization group (DMRG) using the discrete variable representation (DVR) basis set. One main advantage of using the local DVR basis sets is that the computations of…
We propose a new density matrix renormalization group (DMRG) approach to study lattices including bosons. The key to the new approach is an exact mapping of a boson site containing 2^N states to N pseudo-sites, each with 2 states. The…
An extension of the the density matrix renormalization group (DMRG) method is presented. Besides the two groups or classes of block states considered in White's formulation, the retained $m$ states and the neglected ones, we introduce an…