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arXiv:1212.3570

Scaling of the thermal spectral function for quantum critical bosons in one dimension

Thomas Barthel, Ulrich Schollwöck, Subir Sachdev A

Published Dec 14, 2012• 3 citations
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Abstract

We present an improved scheme for the precise evaluation of finite-temperature response functions of strongly correlated systems in the framework of the time-dependent density matrix renormalization group. The maximum times that we can reach at finite temperatures T are typically increased by a factor of two, when compared against the earlier approaches. This novel scheme, complemented with linear prediction, allows us now to evaluate dynamic correlators for interacting bosons in one dimension. We demonstrate that the considered spectral function in the quantum critical regime with dynamic critical exponent z=2 is captured by the universal scaling form S(k,omega)=(1/T)*Phi(k/sqrt(T),omega/T) and calculate the scaling function precisely.

DOI
10.48550/arxiv.1212.3570

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We present an improved scheme for the precise evaluation of finite-temperature response functions of strongly correlated systems in the framework of the time-dependent density matrix renormalization group. The maximum times that we can reach at finite temperatures T are typically increased by a factor of two, when compared against the earlier approaches. This novel scheme, complemented with linear prediction, allows us now to evaluate dynamic correlators for interacting bosons in one dimension. We demonstrate that the considered spectral function in the quantum critical regime with dynamic critical exponent z=2 is captured by the universal scaling form S(k,omega)=(1/T)*Phi(k/sqrt(T),omega/T) and calculate the scaling function precisely.
This paper provides a study and discussion of earlier as well as novel more efficient schemes for the precise evaluation of finite-temperature response functions of strongly correlated quantum systems in the framework of the time-dependent density matrix renormalization group (tDMRG). The computational costs and bond dimensions as functions of time and temperature are examined for the example of the spin-1/2 XXZ Heisenberg chain in the critical XY phase and the gapped Néel phase. The matrix product state purifications occurring in the algorithms are in a one-to-one relation with the corresponding matrix product operators. This notational simplification elucidates implications of quasi-locality on the computational costs. Based on the observation that there is considerable freedom in designing efficient tDMRG schemes for the calculation of dynamical correlators at finite temperatures, a new class of optimizable schemes, as recently suggested in Barthel, Schollwöck and Sachdev (2012 arXiv:1212.3570), is explained and analyzed numerically. A specific novel near-optimal scheme that requires no additional optimization reaches maximum times that are typically increased by a factor of 2, when compared against earlier approaches. These increased reachable times make many more physical applications accessible. For each of the described tDMRG schemes, one can devise a corresponding transfer matrix renormalization group variant.
We present time-dependent density matrix renormalization group simulations (t-DMRG)(t\text{-DMRG})(t-DMRG) at finite temperatures. It is demonstrated how a combination of finite-temperature t-DMRGt\text{-DMRG}t-DMRG and time-series prediction allows for an easy and very accurate calculation of spectral functions in one-dimensional quantum systems, irrespective of their statistics for arbitrary temperatures. This is illustrated with spin structure factors of XXXXXX and XXXXXXXXX spin-12\frac{1}{2}21​ chains. For the XXXXXX model we can compare against an exact solution, and for the XXXXXXXXX model (Heisenberg antiferromagnet) against a Bethe ansatz solution and quantum Monte Carlo data.
We study the dynamical response of the half-filled one-dimensional Hubbard model for a range of interaction strengths UUU and temperatures TTT by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures $T\ensuremath{\sim}J=4{t}^{2}/U$ for sufficiently large U>4tU>4tU>4t. At smaller values of UUU and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite-temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.
The physics of the strongly interacting Hubbard chain (with $t/U\ensuremath{\ll}1$) at finite temperatures undergoes a crossover to a spin-incoherent regime when the temperature is very small relative to the Fermi energy, but larger than the characteristic spin energy scale. This crossover can be understood by means of Ogata and Shiba's factorized wave function, where charge and spin are totally decoupled, and assuming that the charge remains in the ground state, while the spin is thermally excited and at an effective ``spin temperature.'' We use the time-dependent density matrix renormalization group method to calculate the dynamical contributions of the spin, to reconstruct the single-particle spectral function of the electrons. The crossover is characterized by a redistribution of spectral weight both in frequency and momentum, with an apparent shift by kF{k}_{F}kF​ of the minimum of the dispersion.
We present a flexible density-matrix renormalization group approach to calculate finite-temperature spectral functions of one-dimensional strongly correlated quantum systems. The method combines the purification of the finite-temperature density operator with a moment expansion of the Green's function. Using this approach, we study finite-temperature properties of dynamical spectral functions of spin-1/21/21/2 XXZ chains with Dzyaloshinskii-Moriya interactions in magnetic fields and analyze the effect of these symmetry breaking interactions on the nature of the finite-temperature dynamic spin structure factor.
We present a numerical method for the evaluation of dynamical response functions at finite temperatures in one-dimensional strongly correlated systems. The approach is based on the density-matrix renormalization group method, combined with the finite-temperature Lanczos diagonalization. The feasibility of the method is tested on the example of dynamical spin correlations in the anisotropic Heisenberg chain, in particular, it yields nontrivial results for the critical behavior in the isotropic case.