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arXiv:1101.2163 · Physical Review B

Optimal quasifree approximation: Reconstructing the spectrum from ground-state energies

Lorenzo Campos Venuti

Published Jul 14, 2011• 0 citations
arXivHTMLPDF

Abstract

The sequence of ground-state energy density at finite size, ${e}_{L}$, provides much more information than usually believed. Having at our disposal ${e}_{L}$ for short lattice sizes, we show how to reconstruct an approximate quasiparticle dispersion for any interacting model. The accuracy of this method relies on the best possible quasifree approximation to the model, consistent with the observed values of the energy ${e}_{L}$. We also provide a simple criterion to assess whether such a quasifree approximation is valid. As a side effect, our method is able to assess whether the nature of the quasiparticles is fermionic or bosonic together with the effective boundary conditions of the model. When applied to the spin-1$/$2 Heisenberg model, the method produces a band of Fermi quasiparticles very close to the exact one of des Cloizeaux and Pearson. The method is further tested on a spin-1$/$2 Heisenberg model with explicit dimerization and on a spin-1 chain with single-ion anisotropy. A connection with the Riemann hypothesis is also pointed out.

DOI
10.1103/physrevb.84.045118

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The sequence of ground-state energy density at finite size, eL{e}_{L}eL​, provides much more information than usually believed. Having at our disposal eL{e}_{L}eL​ for short lattice sizes, we show how to reconstruct an approximate quasiparticle dispersion for any interacting model. The accuracy of this method relies on the best possible quasifree approximation to the model, consistent with the observed values of the energy eL{e}_{L}eL​. We also provide a simple criterion to assess whether such a quasifree approximation is valid. As a side effect, our method is able to assess whether the nature of the quasiparticles is fermionic or bosonic together with the effective boundary conditions of the model. When applied to the spin-1///2 Heisenberg model, the method produces a band of Fermi quasiparticles very close to the exact one of des Cloizeaux and Pearson. The method is further tested on a spin-1///2 Heisenberg model with explicit dimerization and on a spin-1 chain with single-ion anisotropy. A connection with the Riemann hypothesis is also pointed out.
A density-functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ as basic variable. A simple, explicit approximation to the interaction-energy functional $W[\ensuremath{\gamma}]$ of the Hubbard model is derived from exact dimer results, scaling properties of $W[\ensuremath{\gamma}]$ and known limits. Systematic tests on the one-dimensional chain show a remarkable agreement with the Bethe-ansatz exact solution for all interaction regimes and band fillings. New results are obtained for the ground-state energy and charge-excitation gap in two dimensions. A successful description of strong electron correlations within DFT is achieved.
A variant of White's density-matrix renormalization-group scheme, which is designed to compute low-lying energies of one-dimensional quantum lattice models with a large number of degrees of freedom per site is described. The method is tested on two exactly solvable models---the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg chain and a dimerized XY\mathrm{XY}XY spin chain. To illustrate the potential of the method, it is applied to a model of spins interacting with quantum phonons. It is shown that the method accurately resolves a number of energy gaps on periodic rings that are sufficiently large to afford an accurate investigation of critical properties via the use of finite-size scaling theory.
We study a recently proposed quantum dimer model for the pseudogap metal state of the cuprates. The model contains bosonic dimers, representing a spin-singlet valence bond between a pair of electrons, and fermionic dimers, representing a quasiparticle with spin-1/2 and charge +e+e+e. By density matrix renormalization group calculations on a long but finite cylinder, we obtain the ground-state density distribution of the fermionic dimers for a number of different total densities. From the Friedel oscillations at open boundaries, we deduce that the Fermi surface consists of small hole pockets near $(\ensuremath{\pi}/2,\ensuremath{\pi}/2)$, and this feature persists up to a doping density of 1/16. We also compute the entanglement entropy and find that it closely matches the sum of the entanglement entropies of a critical boson and a low density of free fermions. Our results support the existence of a fractionalized Fermi liquid in this model.
In this paper we propose an efficient routine to carry out finite size scaling studies of one-dimensional massive lattice models. Unlike massless systems, for which the lattice and continuum models yield the same results for low-lying excitations due to the infinite correlation length, the massive continuum models can at best approximate their lattice counterparts because of the intrinsic length scale $\ensuremath{\xi}\ensuremath{\sim}{\ensuremath{\Delta}}^{\ensuremath{-}1},$ where $\ensuremath{\Delta}$ is the mass gap. On examples of antiferromagnetic gapped spin-1/2 XXZ\mathrm{XXZ}XXZ chains we show explicitly that several relations between physical quantities like the mass gap, spin-wave velocity v,v,v, and the correlation length \ensuremath{\xi}, derived from the continuum models deviate significantly from the numerical results obtained for finite chains, when $\ensuremath{\xi}$ is comparable with the lattice spacing a0.{a}_{0}.a0​. On the other hand, we find if the dispersion for elementary excitations is modified from the ``Lorentz invariant'' form $\sqrt{{\ensuremath{\Delta}}^{2}{+v}^{2}{p}^{2}}$ to $\sqrt{{\ensuremath{\Delta}}^{2}{+v}^{2}{\mathrm{sin}}^{2}p},$ the spin-wave velocity vvv becomes almost size independent, and the appropriately defined correlation length using that dispersion agrees very well with numerical results. In fact, this follows from the Bethe ansatz solution for the spin-1/2 XXZ\mathrm{XXZ}XXZ chains. Based on our previous experience and these considerations we propose scaling equations to obtain the ground-state energy, mass gap, correlation length, spin-wave velocity, and scattering length between the massive elementary excitations. Only three low energy levels are needed in this method. Although the method is illustrated on the gapped XXZ\mathrm{XXZ}XXZ quantum spins, it is applicable to all one-dimensional lattice models with massive relativistic low energy dispersions. To substantiate our statement we show explicitly that the numerical data for the Ising model in a transverse magnetic field fully agree with the finite-size scaling based on the correlation length newly defined from the exact analytic solution.
Electronic states in the two-dimensional Hubbard model are studied in the doped paramagnetic states by use of the auxiliary boson approach. Four auxiliary bosons are introduced by means of the Hubbard-Stratonovich transformation within the functional integral treatment. These bosons correspond to one charge and three spin fluctuations. An effective model is formulated. Going beyond the boson fluctuations around the saddle point, the single-electron Green's function including one-loop self-energy effects of fermion-boson interaction is derived. The behavior of the fermion self-energy, spectral functions, and density of states are investigated for several values of the Coulomb interaction UUU within the limit imposed by the Stoner criterion and also for small and moderate doping concentrations $\ensuremath{\delta}$. For small doping $(\ensuremath{\delta}=0.2)$, as UUU approaches a value determined by the Stoner criterion, the spin-boson spectrum has a striking low-energy enhancement around $\mathbf{q}\ensuremath{\sim}2{\mathbf{k}}_{F}.$ This enhancement of the spin fluctuation causes a non-Fermi-liquid-like low-energy $\ensuremath{\omega}$ linear dependence in the imaginary part of the self-energy. Due to the self-energy effects, band splittings and a band narrowing are produced in the spectral functions. As a consequence of this, the density of states has pseudogap structures around the quasiparticle band with a narrow bandwidth on the Fermi energy. These features seem to be precursors of the metal-insulator (Mott-Hubbard) transition and they might be related to the spin-gap phenomena observed in high-Tc{T}_{c}Tc​ materials. Our results for the density of states, the spectral function, and the band dispersions show qualitative agreement with the data of finite-size cluster simulations.
We report preliminary results of convergence properties for nonperturbative resolvent approximations to Anderson-like models of magnetic ions in metals. Our study is initially focused on the spin- 1/2 Anderson model for magnetic impurities, but the methods studied can include multiplet and crystal-field effects which are needed for more accurate descriptions of real systems. We will compare the nonperturbative Lanczos method (tridiagonalization) and similar truncation schemes to exact ground-state energies for the impurity model and assess the efficacy of these nonperturbative approaches to understanding the Anderson lattice, heavy fermions, and other strongly interacting electronic systems.