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arXiv:1808.08506 · Physical review. B./Physical review. B

Numerical renormalization group method for entanglement negativity at finite temperature

Jeongmin Shim, H.-S. Sim, Seung‐Sup B. Lee

Published Apr 12, 2018• 15 citations
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Abstract

We develop a numerical method to compute the negativity, an entanglement measure for mixed states, between the impurity and the bath in quantum impurity systems at finite temperature. We construct a thermal density matrix by using the numerical renormalization group (NRG), and evaluate the negativity by implementing the NRG approximation that reduces computational cost exponentially. We apply the method to the single-impurity Kondo model and the single-impurity Anderson model. In the Kondo model, the negativity exhibits a power-law scaling at temperature much lower than the Kondo temperature and a sudden death at high temperature. In the Anderson model, the charge fluctuation of the impurity contributes to the negativity even at zero temperature when the on-site Coulomb repulsion of the impurity is finite, while at low temperature the negativity between the impurity spin and the bath exhibits the same power-law scaling behavior as in the Kondo model.

DOI
10.1103/physrevb.97.155123

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We develop a numerical method to compute the negativity, an entanglement measure for mixed states, between the impurity and the bath in quantum impurity systems at finite temperature. We construct a thermal density matrix by using the numerical renormalization group (NRG), and evaluate the negativity by implementing the NRG approximation that reduces computational cost exponentially. We apply the method to the single-impurity Kondo model and the single-impurity Anderson model. In the Kondo model, the negativity exhibits a power-law scaling at temperature much lower than the Kondo temperature and a sudden death at high temperature. In the Anderson model, the charge fluctuation of the impurity contributes to the negativity even at zero temperature when the on-site Coulomb repulsion of the impurity is finite, while at low temperature the negativity between the impurity spin and the bath exhibits the same power-law scaling behavior as in the Kondo model.
Quantum entanglement between an impurity and its environment is expected to be central in quantum impurity problems. We develop a method to compute the entanglement in spin-1/2 impurity problems, based on the entanglement negativity and the boundary conformal field theory (BCFT). Using the method, we study the thermal decay of the entanglement in the multichannel Kondo effects. At zero temperature, the entanglement has the maximal value independent of the number of the screening channels. At low temperature, the entanglement exhibits a power-law thermal decay. The power-law exponent equals two times of the scaling dimension of the BCFT boundary operator describing the impurity spin, and it is attributed to the energy-dependent scaling behavior of the entanglement in energy eigenstates. These agree with numerical renormalization group results, unveiling quantum coherence inside the Kondo screening length.
Using the functional renormalization group (FRG) and the numerical renormalization group (NRG), we calculate the spectral function of the Anderson impurity model at zero and finite temperatures. In our FRG scheme spin fluctuations are treated nonperturbatively via a suitable Hubbard-Stratonovich field, but vertex corrections are neglected. A comparison with our highly accurate NRG results shows that this FRG scheme provides a good description of the spectral line shape at zero and finite temperatures both in the weak- and strong-coupling regimes, although at zero temperature the FRG is not able to reproduce the known exponential narrowing of the Kondo resonance at strong coupling.
In the early 1970s, Wilson developed the concept of a fully nonperturbative renormalization group transformation. When applied to the Kondo problem, this numerical renormalization group (NRG) method gave for the first time the full crossover from the high-temperature phase of a free spin to the low-temperature phase of a completely screened spin. The NRG method was later generalized to a variety of quantum impurity problems. The purpose of this review is to give a brief introduction to the NRG method, including some guidelines for calculating physical quantities, and to survey the development of the NRG method and its various applications over the last 30 years. These applications include variants of the original Kondo problem such as the non-Fermi-liquid behavior in the two-channel Kondo model, dissipative quantum systems such as the spin-boson model, and lattice systems in the framework of the dynamical mean-field theory.
We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp{C}_{\mathrm{imp}}Cimp​ to be calculated accurately from local static correlation functions; specifically via ${C}_{\mathrm{imp}}=\frac{\ensuremath{\partial}{E}_{\mathrm{ionic}}}{\ensuremath{\partial}T}+\frac{1}{2}\frac{\ensuremath{\partial}{E}_{\mathrm{hyb}}}{\ensuremath{\partial}T}$, where Eionic{E}_{\mathrm{ionic}}Eionic​ and Ehyb{E}_{\mathrm{hyb}}Ehyb​ are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp{C}_{\mathrm{imp}}Cimp​. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.
Quantum impurity models describe interactions between some local degrees of freedom and a continuum of non-interacting fermionic or bosonic states. The investigation of quantum impurity models is a starting point towards the understanding of more complex strongly correlated systems, but quantum impurity models also provide the description of various correlated mesoscopic structures, biological and chemical processes, atomic physics and describe phenomena such as dissipation or dephasing. Prototypes of these models are the Anderson impurity model, or the single- and multi-channel Kondo models. The numerical renormalization group method (NRG) proposed by Wilson in mid 70's has been used in its original form for a longtime as one of the most accurate and powerful methods to deal with quatum impurity problems. Recently, a number of new developments took place: First, a spectral sum-conserving density matrix NRG approach (DM-NRG) has been developed, which has also been generalized for non-Abelian symmetries. In this manual we introduce some of the basic concepts of the NRG method and present recently developed Flexible DM-NRG code. This code uses user-defined non-Abelian symmetries dynamically, computes spectral functions, expectation values of local operators for user-defined impurity models. The code can also use a uniform density of states as well as a user-defined density of states. The current version of the code assumes fermionic bath's and it uses any number of U(1), SU(2) charge SU(2) or Z(2) symmetries. The Flexible DM-NRG code can be downloaded from http://www.phy.bme.hu/~dmnrg
The numerical renormalization group (NRG) is tailored to describe interacting impurity models in equilibrium, but it faces limitations for steady-state nonequilibrium, arising, e.g., due to an applied bias voltage. We show that these limitations can be overcome by describing the thermal leads using a thermofield approach, integrating out high energy modes using NRG, and then treating the nonequilibrium dynamics at low energies using a quench protocol, implemented using the time-dependent density matrix renormalization group. This yields quantitatively reliable results for the current (with errors ≲3%) down to the exponentially small energy scales characteristic of impurity models. We present results of benchmark quality for the temperature and magnetic field dependence of the zero-bias conductance peak for the single-impurity Anderson model.