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Bulletin of the American Physical Society

$1/(N-1)$ expansion, NRG, NCA, and exact $T\to \infty$ limit for the Green's function of an SU($N$) Anderson impurity

Akira Oguri, Rui Sakano

Published Mar 3, 2015• 0 citations
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The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-$1/2$ particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temperature, even when the approximation gives the exact threshold exponents of the ionic states. Actually, the NCA solution describes an overscreened Kondo effect, because it is the same as for the two-channel infinite-$U$ single-level Anderson model. We explicitly show that the NCA is unable to distinguish between these two very different physical systems, independently of temperature. Using the impurity entropy as an example, we show that the low-temperature values of the NCA entropy for the symmetric case yield the limit ${S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}ln\sqrt{2},$ which corresponds to the zero temperature entropy of the overscreened Kondo model. Similar pathologies are predicted for any other thermodynamic property. On the other hand, we have found that the OCA approach lifts the artificial mapping between the models and restores correct properties of the ground state, for instance, a vanishing entropy at low enough temperatures ${S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}0$. Our results indicate that the very well known NCA should be used with caution close to the symmetric point of the Anderson model.

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Full density-matrix numerical renormalization group calculation of impurity susceptibility and specific heat of the Anderson impurity model

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Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models [see A. Weichselbaum and J. von Delft, Phys. Rev. Lett. 99, 076402 (2007)] by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller [F. B. Anders and A. Schiller, Phys. Rev. Lett. 95, 196801 (2005)]. While these developments prove particularly useful in the calculation of transient response and finite-temperature Green's functions of quantum impurity models, they may also be used to calculate thermodynamic properties. In this paper, we assess the FDM approach to thermodynamic properties by applying it to the Anderson impurity model. We compare the results for the susceptibility and specific heat to both the conventional approach within NRG and to exact Bethe ansatz results. We also point out a subtlety in the calculation of the susceptibility (in a uniform field) within the FDM approach. Finally, we show numerically that for the Anderson model, the susceptibilities in response to a local and a uniform magnetic field coincide in the wide-band limit, in accordance with the Clogston-Anderson compensation theorem.

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1/(N−1)1/(N-1)1/(N−1) expansion, NRG, NCA, and exact T→∞T\to \inftyT→∞ limit for the Green's function of an SU(NNN) Anderson impurity
Double expansion with respect to UUU and 1/(N−1)1/(N-1)1/(N−1) for an SU(NNN) impurity Anderson model
1/(N−1)1/(N - 1)1/(N−1) Expansion for an SU(N) Impurity Anderson Model: A New Large-N Scheme Based on a Perturbation Theory in U
The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-1/21/21/2 particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temperature, even when the approximation gives the exact threshold exponents of the ionic states. Actually, the NCA solution describes an overscreened Kondo effect, because it is the same as for the two-channel infinite-UUU single-level Anderson model. We explicitly show that the NCA is unable to distinguish between these two very different physical systems, independently of temperature. Using the impurity entropy as an example, we show that the low-temperature values of the NCA entropy for the symmetric case yield the limit ${S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}ln\sqrt{2},$ which corresponds to the zero temperature entropy of the overscreened Kondo model. Similar pathologies are predicted for any other thermodynamic property. On the other hand, we have found that the OCA approach lifts the artificial mapping between the models and restores correct properties of the ground state, for instance, a vanishing entropy at low enough temperatures ${S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}0$. Our results indicate that the very well known NCA should be used with caution close to the symmetric point of the Anderson model.
In this work, we describe the simplifications to the Extremely Correlated Fermi Liquid Theory (ECFL) \\cite{ECFL, Monster} which occur in the limit of infinite spatial dimensions. In particular, we show that the single-particle electron Green's function G(k) can be written in terms of two momentum-independent self-energies. Moreover, we elucidate the nature of the ECFL \\lambda expansion in the limit of infinite dimensions and carry out this expansion explicitly to O(\\lambda^2). Additionally, we demonstrate the vanishing of vertex corrections to the optical conductivity in general and to each order in \\lambda in the limit of infinite dimensions. We generalize the ECFL formalism to the infinite-U Anderson impurity model (AIM) , and demonstrate a Dynamical Mean-Field Theory (DMFT) like mapping between the ECFL objects of the infinite-dimensional t-J model and the infinite-U AIM, and show that this mapping holds to each order in \\lambda. We compute the spectral function for the AIM to O (\\lambda^2) and make comparisons with results obtained through Numerical Renormalization Group (NRG) computations. Finally, we develop a novel formalism for the high-temperature expansion of dynamical correlation functions in the infinite-U Hubbard model which is more efficient than any used previously and gives results for an arbitrary number of spin species. We use it to calculate the single-particle Green's function G(k) to fourth order in (\\beta t) for m spin-species on a d-dimensional hypercube.
Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models [see A. Weichselbaum and J. von Delft, Phys. Rev. Lett. 99, 076402 (2007)] by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller [F. B. Anders and A. Schiller, Phys. Rev. Lett. 95, 196801 (2005)]. While these developments prove particularly useful in the calculation of transient response and finite-temperature Green's functions of quantum impurity models, they may also be used to calculate thermodynamic properties. In this paper, we assess the FDM approach to thermodynamic properties by applying it to the Anderson impurity model. We compare the results for the susceptibility and specific heat to both the conventional approach within NRG and to exact Bethe ansatz results. We also point out a subtlety in the calculation of the susceptibility (in a uniform field) within the FDM approach. Finally, we show numerically that for the Anderson model, the susceptibilities in response to a local and a uniform magnetic field coincide in the wide-band limit, in accordance with the Clogston-Anderson compensation theorem.