Application of the Density Matrix Renormalization Group in momentum space

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 $1/r$ 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.Comment: 15 pages, 11 eps figures, revtex

The Hubbard model with smooth boundary conditions

We apply recently developed smooth boundary conditions to the quantum Monte Carlo simulation of the two-dimensional Hubbard model. At half-filling, where there is no sign problem, we show that the thermodynamic limit is reached more rapidly with smooth rather than with periodic or open boundary conditions. Away from half-filling, where ordinarily the simulation cannot be carried out at low temperatures due to the existence of the sign problem, we show that smooth boundary conditions allow us to reach significantly lower temperatures. We examine pairing correlation functions away from half-filling in order to determine the possible existence of a superconducting state. On a $10\times 10$ lattice for $U=4$, at a filling of $\langle n \rangle = 0.87$ and an inverse temperature of $\beta=10$, we did find enhancement of the $d$-wave correlations with respect to the non-interacting case, a possible sign of $d$-wave superconductivity.Comment: 16 pages RevTeX, 9 postscript figures included (Figure 1 will be faxed on request

Spatially homogeneous ground state of the two-dimensional Hubbard model

We investigate the stability with respect to phase separation or charge density-wave formation of the two-dimensional Hubbard model for various values of the local Coulomb repulsion and electron densities using Green-function Monte Carlo techniques. The well known sign problem is particularly serious in the relevant region of small hole doping. We show that the difference in accuracy for different doping makes it very difficult to probe the phase separation instability using only energy calculations, even in the weak-coupling limit ($U=4t$) where reliable results are available. By contrast, the knowledge of the charge correlation functions allows us to provide clear evidence of a spatially homogeneous ground state up to $U=10t$.Comment: 7 pages and 5 figures. Phys. Rev. B, to appear 200

Bosonic sector of the two-dimensional Hubbard model studied within a two-pole approximation

The charge and spin dynamics of the two-dimensional Hubbard model in the paramagnetic phase is first studied by means of the two-pole approximation within the framework of the Composite Operator Method. The fully self-consistent scheme requires: no decoupling, the fulfillment of both Pauli principle and hydrodynamics constraints, the simultaneous solution of fermionic and bosonic sectors and a very rich momentum dependence of the response functions. The temperature and momentum dependencies, as well as the dependency on the Coulomb repulsion strength and the filling, of the calculated charge and spin susceptibilities and correlation functions are in very good agreement with the numerical calculations present in the literature

Optical excitations in a one-dimensional Mott insulator

The density-matrix renormalization-group (DMRG) method is used to investigate optical excitations in the Mott insulating phase of a one-dimensional extended Hubbard model. The linear optical conductivity is calculated using the dynamical DMRG method and the nature of the lowest optically excited states is investigated using a symmetrized DMRG approach. The numerical calculations agree perfectly with field-theoretical predictions for a small Mott gap and analytical results for a large Mott gap obtained with a strong-coupling analysis. Is is shown that four types of optical excitations exist in this Mott insulator: pairs of unbound charge excitations, excitons, excitonic strings, and charge-density-wave (CDW) droplets. Each type of excitations dominates the low-energy optical spectrum in some region of the interaction parameter space and corresponds to distinct spectral features: a continuum starting at the Mott gap (unbound charge excitations), a single peak or several isolated peaks below the Mott gap (excitons and excitonic strings, respectively), and a continuum below the Mott gap (CDW droplets).Comment: 12 pages (REVTEX 4), 12 figures (in 14 eps files), 1 tabl

Use of variability in national and regional data to estimate the prevalence of lymphangioleiomyomatosis

Background: Understanding the true prevalence of lymphangioleiomyomatosis (LAM) is important in estimating disease burden and targeting specific interventions. As with all rare diseases, obtaining reliable epidemiological data is difficult and requires innovative approaches. Aim: To determine the prevalence and incidence of LAM using data from patient organizations in seven countries, and to use the extent to which the prevalence of LAM varies regionally and nationally to determine whether prevalence estimates are related to health-care provision. Methods: Numbers of women with LAM were obtained from patient groups and national databases from seven countries (n = 1001). Prevalence was calculated for regions within countries using female population figures from census data. Incidence estimates were calculated for the USA, UK and Switzerland. Regional variation in prevalence and changes in incidence over time were analysed using Poisson regression and linear regression. Results: Prevalence of LAM in the seven countries ranged from 3.4 to 7.8/million women with significant variation, both between countries and between states in the USA. This variation did not relate to the number of pulmonary specialists in the region nor the percentage of population with health insurance, but suggests a large number of patients remain undiagnosed. The incidence of LAM from 2004 to 2008 ranged from 0.23 to 0.31/million women/per year in the USA, UK and Switzerland. Conclusions: Using this method, we have found that the prevalence of LAM is higher than that previously recorded and that many patients with LAM are undiagnose

Ferromagnetism and phase separation in one-dimensional d-p and periodic Anderson models

Using the Density Matrix Renormalization Group, we study metallic ferromagnetism in a one-dimensional copper-oxide model which contains one oxygen p-orbital and one copper d-orbital. The parameters for the d-p model can be chosen so that it is similar to the one-dimensional periodic Anderson model. For these parameters, we compare the ground-state phase diagram with that of the Anderson model and find a ferromagnetic region analogous to one found in the Anderson model, but which is pushed to somewhat higher densities and interaction strengths. In both models, we find a region within the ferromagnetic phase in which phase separation between a localized ferromagnetic domain and a weakly antiferromagnetic regime occurs. We then choose a set of parameter values appropriate for copper-oxide materials and explore the ground-state phase diagram as a function of the oxygen-oxygen hopping strength and the electron density. We find three disconnected regions of metallic ferromagnetism and give physical pictures of the three different mechanisms for ferromagnetism in these phases.Comment: 12 pages (RevTeX), 12 figures (EPS

The breakdown of the Nagaoka phase in the 2D t-J model

In the limit of weak exchange, J, at low hole concentration, the ground state of the 2D t-J model is believed to be ferromagnetic. We study the leading instability of this Nagaoka state, which emerges with increasing J. Both exact diagonalization of small clusters, and a semiclassical analytical calculation of larger systems show that above a certain critical value of the exchange, Nagaoka's state is unstable to phase separation. In a finite-size system a bubble of antiferromagnetic Mott insulator appears in the ground state above this threshold. The size of this bubble depends on the hole concentration and scales as a power of the system size, N

Excitation Spectrum of One-dimensional Extended Ionic Hubbard Model

We use Perturbative Continuous Unitary Transformations (PCUT) to study the one dimensional Extended Ionic Hubbard Model (EIHM) at half-filling in the band insulator region. The extended ionic Hubbard model, in addition to the usual ionic Hubbard model, includes an inter-site nearest-neighbor (n.n.) repulsion, $V$. We consider the ionic potential as unperturbed part of the Hamiltonian, while the hopping and interaction (quartic) terms are treated as perturbation. We calculate total energy and ionicity in the ground state. Above the ground state, (i) we calculate the single particle excitation spectrum by adding an electron or a hole to the system. (ii) the coherence-length and spectrum of electron-hole excitation are obtained. Our calculations reveal that for V=0, there are two triplet bound state modes and three singlet modes, two anti-bound states and one bound state, while for finite values of $V$ there are four excitonic bound states corresponding to two singlet and two triplet modes. The major role of on-site Coulomb repulsion $U$ is to split singlet and triplet collective excitation branches, while $V$ tends to pull the singlet branches below the continuum to make them bound states.Comment: 10 eps figure

Symmetry breaking in the Hubbard model at weak coupling

The phase diagram of the Hubbard model is studied at weak coupling in two and three spatial dimensions. It is shown that the Neel temperature and the order parameter in d=3 are smaller than the Hartree-Fock predictions by a factor of q=0.2599. For d=2 we show that the self-consistent (sc) perturbation series bears no relevance to the behavior of the exact solution of the Hubbard model in the symmetry-broken phase. We also investigate an anisotropic model and show that the coupling between planes is essential for the validity of mean-field-type order parameters