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arXiv:cond-mat/9603020 · Physical review. B, Condensed matter

Density-matrix renormalization-group method in momentum space

Tao Xiang

Published Apr 15, 1996• 156 citations
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Abstract

A momentum-space approach of the density-matrix renormalization-group (DMRG) method is developed. Ground-state energies of the Hubbard model are evaluated using this method and compared with exact diagonalization as well as quantum Monte Carlo results. It is shown that the momentum-space DMRG is a very useful numerical tool for studying the Hubbard model and other fundamental models of interacting electrons in two dimensions. For the Hubbard model in two dimensions, the momentum-space DMRG method reproduces accurately the exact diagonalization results of ground-state energies on a 4\ifmmode\times\else\texttimes\fi{}4 lattice and yields new upper bounds of ground-state energies on an 8\ifmmode\times\else\texttimes\fi{}8 lattice.

DOI
10.1103/physrevb.53.r10445

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A momentum-space approach of the density-matrix renormalization-group (DMRG) method is developed. Ground-state energies of the Hubbard model are evaluated using this method and compared with exact diagonalization as well as quantum Monte Carlo results. It is shown that the momentum-space DMRG is a very useful numerical tool for studying the Hubbard model and other fundamental models of interacting electrons in two dimensions. For the Hubbard model in two dimensions, the momentum-space DMRG method reproduces accurately the exact diagonalization results of ground-state energies on a 4\ifmmode\times\else\texttimes\fi{}4 lattice and yields new upper bounds of ground-state energies on an 8\ifmmode\times\else\texttimes\fi{}8 lattice.
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/r1/r1/r hopping and the two-dimensional model with isotropic nearest-neighbor hopping. By comparing with the exact solutions for both one-dimensional models and with exact diagonalization in two dimensions, we first investigate the convergence of the ground-state energy. We find variational convergence of the energy with the number of states kept for all models and parameter sets. In contrast to the real-space algorithm, the accuracy becomes rapidly worse with increasing interaction and is not significantly better at half filling. We compare the results for different dispersion relations at fixed interaction strength over bandwidth and find that extending the range of the hopping in one dimension has little effect, but that changing the dimensionality from one to two leads to lower accuracy at weak-to-moderate interaction strength. In the one-dimensional models at half filling, we also investigate the behavior of the single-particle gap, the dispersion of spinon excitations, and the momentum distribution function. For the single-particle gap, we find that proper extrapolation in the number of states kept is important. For the spinon dispersion, we find that good agreement with the exact forms can be achieved at weak coupling if the large momentum-dependent finite-size effects are taken into account for nearest-neighbor hopping. For the momentum distribution, we compare with various weak-coupling and strong-coupling approximations and discuss the importance of finite-size effects as well as the accuracy of the DMRG.
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The application of real space renormalization group methods to quantum lattice models has become a topic of great interest following the development of the density matrix renormalization group by White.This method has been used to find the ground and low-lying excited state energies and wave functions of quantum spin models in which the form of the ground state is not clear, for instance because the interactions are frustrated.It has also been applied to fermion problems where the tendency for localization due to the strong Coulomb repulsion is opposed by the lowering of the kinetic energy which occurs as a result of electron transfer.The approach is particularly suitable for one-, or quasi-one-dimensional problems.The method involves truncating the Hilbert space in a systematic and optimised manner.Results for the ground state energy are thus variational bounds.The results for low-lying energies and correlation functions for one-dimensional systems have unprecedented accuracy and the method has become the method of choice for solving one-dimensional quantum spin problems.We review the method and results obtained for the spin-1 chain with biquadratic exchange as well as the spin-1/2 model with competing nearest and next nearest neighbour exchange will be described.More recently, the density matrix renormalization group has been applied to reformulate the coupling constant renormalization group approach which is appropriate for the study of critical properties.This approach has been applied to the anisotropic spin-1/2 Heisenberg chain.Finally, we discuss recent work which has borne promising applications in two dimensions -the Ising model and the two-dimensional Hubbard model.
We develop a precise and reliable numerical method for the calculation of electronic properties of the two orbital Hubbard model in a square lattice at half filling, based on the Dynamical Mean Field Theory (DMFT). We use the Density Matrix Renormalization Group (DMRG) as the impurity solver for the DMFT's selfconsistent equations to obtain accurate values for the Green's functions on the real axis. This way, reliable densities of states are obtained that do not need to resort to analytical continuation methods as those using quantum Monte Carlo techniques. Large system sizes can be achieved with increasing accuracy.
We develop the density-matrix renormalization group (DMRG) technique for numerically studying incompressible fractional quantum Hall (FQH) states on the sphere. We calculate accurate estimates for ground-state energies and excitation gaps at FQH filling fractions nu=1/3 and nu=5/2 for systems that are considerably larger than the largest ever studied by exact diagonalization. We establish, by carefully comparing with existing numerical results on smaller systems, that DMRG is a highly effective numerical tool for studying incompressible FQH states.
We study the properties of the ground states of the one- and two-dimensional Hubbard models at half-filling and moderate doping using entanglement-based measures, which we calculate numerically using the momentum-space density matrix renormalization group (DMRG). In particular, we investigate quantities such as the single-site entropy and two-site mutual information of single-particle momentum states as well as the behavior of the bipartite subsystem entropy for partitions in momentum space. The distribution of these quantities in momentum space gives insight into the fundamental nature of the ground state, insight that can be used to make contact with weak-coupling-based analytic approaches and to optimize numerical methods, the momentum-space DMRG in particular. We study the site and subsystem entropies as a function of interaction strength UUU and system size. In both the one- and two-dimensional cases, we find that the subsystem entropy scales proportionally to U2{U}^{2}U2 for weak UUU and proportionally to volume. Nevertheless, the optimized momentum-space DMRG can provide variationally accurate results for the two-dimensional Hubbard model at weak coupling for moderate system sizes.