arXiv subjects

Hans Gerd Evertz

Publications and source records attributed to Hans Gerd Evertz.

31 records · Page 2Linked to original sources

arXiv2010

Efficient Matrix Product State Method for periodic boundary conditions

We introduce an efficient method to calculate the ground state of one-dimensional lattice models with periodic boundary conditions. The method works in the representation of Matrix Product States (MPS), related to the Density Matrix Renormalization Group (DMRG) method. It improves on a previous approach by Verstraete et al. We introduce a factorization procedure for long products of MPS matrices, which reduces the computational effort from m^5 to m^3, where m is the matrix dimension, and m ~ 100 - 1000 in typical cases. We test the method on the S=1/2 and S=1 Heisenberg chains. It is also applicable to non-translationally invariant cases. The new method makes ground state calculations with periodic boundary conditions about as efficient as traditional DMRG calculations for systems with open boundaries.

cond-mat.str-el↗

arXiv2009

Excitation spectra of strongly correlated lattice bosons and polaritons

Spectral properties of the Bose-Hubbard model and a recently proposed coupled-cavity model are studied by means of quantum Monte Carlo simulations in one dimension. Both models exhibit a quantum phase transition from a Mott insulator to a superfluid phase. The dynamic structure factor $S(k,ω)$ and the single-particle spectrum $A(k,ω)$ are calculated, focusing on the parameter region around the phase transition from the Mott insulator with density one to the superfluid phase, where correlations are important. The strongly interacting nature of the superfluid phase manifests itself in terms of additional gapped modes in the spectra. Comparison is made to recent analytical work on the Bose-Hubbard model. Despite some subtle differences due to the polaritonic particles in the cavity model, the gross features are found to be very similar to the Bose-Hubbard case. For the polariton model, emergent particle-hole symmetry near the Mott lobe tip is demonstrated, and temperature and detuning effects are analyzed. A scaling analysis for the generic transition suggests mean field exponents, in accordance with field theory results.

cond-mat.other↗

arXiv2009

Effect of the exchange hole on the Gutzwiller approximation in one dimension

The Gutzwiller approximate solution to the Gutzwiller wavefunction yields exact results for the Gutzwiller wavefunction in the infinite dimensional limit. Implicit in the Gutzwiller approximation is an approximate local form of the fermion exchange hole. This approximate form is the same for all dimensions but is incorrect except in infinite dimensions. We implement the correct form for the exchange hole into the Gutzwiller approximation. We perform calculations on the one-dimensional Hubbard model at half-filling. They indicate that the implementation of the exchange hole already brings the Gutzwiller approximation into very close quantitative agreement with the results of the full Gutzwiller wavefunction. Metallicity as well as anti-ferromagnetism are recovered.

cond-mat.str-el↗

arXiv2008

Parametrized canonical transformation for the Hubbard-model at arbitrary interaction strength

The $t-J$ and Heisenberg models are truncated expansions of a canonically transformed Hubbard model coinciding with it at $U\to \infty$. We show that a modified canonical transformation applied to the Hubbard model leads to alternative models of the same form, but whose convergence properties with respect to the expansion are more favourable, resulting in a good description of the half-filled ground state even at $0<U\leq1$. We investigate the transformed Hamiltonian and observables for metallic and insulating variational wave-functions.

cond-mat.str-el↗

arXiv2004

Holstein polaron in two and three dimensions by quantum Monte Carlo

A recently developed quantum Monte Carlo approach to the Holstein model with one electron [PRB 69, 024301 (2004)] is extended to two and three dimensional lattices. A moderate sign problem occurs, which is found to diminish with increasing system size in all dimensions, and not to affect simulations significantly. We present an extensive study of the influence of temperature, system size, dimensionality and model parameters on the small-polaron cross over. Results are extrapolated to remove the error due to the Trotter discretization, which significantly improves the accuracy. Comparison with existing work and other quantum Monte Carlo methods is made. The method can be extended to the many-electron case.

cond-mat.str-el↗

arXiv2004

Quantum Monte Carlo and variational approaches to the Holstein model

Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the probability distribution leads to a dramatic reduction in computational effort. A principal component representation of the phonon degrees of freedom allows to sample completely uncorrelated phonon configurations. The combination of these elements enables us to perform efficient simulations for a wide range of temperature, phonon frequency and electron-phonon coupling on clusters large enough to avoid finite-size effects. The algorithm is tested in one dimension and the data are compared with exact-diagonalization results and with existing work. Moreover, the ideas presented here can also be applied to the many-electron case. In the one-electron case considered here, the physics of the Holstein model can be described by a simple variational approach.

cond-mat.str-el↗

arXiv2003

Magnetic Polarons in the 1D FM Kondo Model

The ferromagnetic Kondo model with classical corespins is studied via unbiased Monte-Carlo simulations. We show that with realistic parameters for the manganites and at low temperatures, the double-exchange mechanism does not lead to phase separation in one-dimensional chains but rather stabilizes individual ferromagnetic polarons. Within the ferromagnetic polaron picture, the pseudogap in the one-particle spectral function A_k(ω) can easily be explained. Ferromagnetic polarons also clear up a seeming failure of the double-exchange mechanism in explaining the comparable bandwidths in the ferromagnetic and paramagnetic phase. For our analysis, we extend a simplified model, the finite temperature uniform hopping approach (UHA), to include polarons. It can easily be evaluated numerically and provides a simple quantitative understanding of the physical features of the ferromagnetic Kondo model.

cond-mat.str-el↗

arXiv2002

Uniform hopping approach to the FM Kondo Model at finite temperature

We study the ferromagnetic Kondo model with classical corespins via unbiased Monte-Carlo simulations and derive a simplified model for the treatment of the corespins at any temperature. Our simplified model captures the main aspects of the Kondo model and can easily be evaluated both numerically and analytically. It provides a better qualitative understanding of the physical features of the Kondo model and rationalizes the Monte-Carlo results, including the spectral density A_k(omega) of a 1D chain with nearest neighbor Coulomb repulsion. By calculating the specific heat and the susceptibility of systems up to size 16^3, we determine the Curie temperature of the 3D one-orbital double-exchange model, which agrees with experimental values.

cond-mat.str-el↗

arXiv2002

Effective spinless fermions in the strong coupling Kondo model

Starting from the two-orbital Kondo-lattice model with classical t_2g spins, an effective spinless fermion model is derived for strong Hund coupling J_H with a projection technique. The model is studied by Monte Carlo simulations and analytically using a uniform hopping approximation. The results for the spinless fermion model are in remarkable agreement with those of the original Kondo-lattice model, independent of the carrier concentration, and even for moderate Hund coupling J_H. Phase separation, the phase diagram in uniform hopping approximation, as well as spectral properties including the formation of a pseudo-gap are discussed for both the Kondo-lattice and the effective spinless fermion model in one and three dimensions.

cond-mat.str-el↗

arXiv2002

Low Temperature Lanczos Method

We present a modified finite temperature Lanczos method for the evaluation of dynamical and static quantities of strongly correlated electron systems that complements the finite temperature method (FTLM) introduced by Jaklic and Prelovsek for low temperatures. Together they allow accurate calculations at any temperature with moderate effort. As an example we calculate the static spin correlation function and the regular part of the optical conductivity of the one dimensional Hubbard model at half-filling and show in detail the connection between the ground state and finite temperature method. By using Cluster Perturbation Theory (CPT), the finite temperature spectral function is extended to the infinite system, clearly exhibiting the effects of spin-charge separation.

cond-mat.str-el↗

arXiv1999

Spin dynamics simulations - a powerful method for the study of critical dynamics

Spin-dynamics techniques can now be used to study the deterministic time-dependent behavior of magnetic systems containing over 10^5 spins with quite good accuracy. This approach will be introduced, including the theoretical foundations of the methods of analysis. Then newly developed, improved techniques based upon Suzuki-Trotter decomposition methods will be described. The current ``state-of-the-art'' will be evaluated with specific examples drawn from data on simple magnetic models. The examination of dynamic critical behavior will be highlighted but the extraction of information about excitations at low temperatures will be included.

cond-mat.stat-mech↗

arXiv1997

Quantum Monte Carlo Loop Algorithm for the t-J Model

We propose a generalization of the Quantum Monte Carlo loop algorithm to the t-J model by a mapping to three coupled six-vertex models. The autocorrelation times are reduced by orders of magnitude compared to the conventional local algorithms. The method is completely ergodic and can be formulated directly in continuous time. We introduce improved estimators for simulations with a local sign problem. Some first results of finite temperature simulations are presented for a t-J chain, a frustrated Heisenberg chain, and t-J ladder models.

cond-mat.str-el↗

arXiv1992

Vectorized Cluster Search

Contrary to conventional wisdom, the construction of clusters on a lattice can easily be vectorized, namely over each ``generation'' in a breadth first search. This applies directly to, e.g., the {\it single cluster} variant of the Swendsen-Wang algorithm. On a Cray Y-MP, total CPU time was reduced by a factor 3.5 -- 7 in actual applications.

hep-lat↗