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Register a new userSparse modeling of large-scale quantum impurity models with low symmetries
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Quantum embedding theories provide a feasible route for obtaining quantitative descriptions of correlated materials. However, a critical challenge is solving an effective impurity model of correlated orbitals embedded in an electron bath. Many advanced impurity solvers require the approximation of a bath continuum using a finite number of bath levels, producing a highly nonconvex, ill-conditioned inverse problem. To address this drawback, this study proposes an efficient fitting algorithm for matrix-valued hybridization functions based on a data-science approach, sparse modeling, and a compact representation of Matsubara Greens functions. The efficiency of the proposed method is demonstrated by fitting random hybridization functions with large off-diagonal elements as well as those of a 20-orbital impurity model for a high-Tc compound, LaAsFeO, at low temperatures (T). The results set quantitative goals for the future development of impurity solvers toward quantum embedding simulations of complex correlated materials.
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Quantum impurity models play an important role in many areas of physics from condensed matter to AMO and quantum information. They are important models for many physical systems but also provide key insights to understanding much more complicated scenarios. In this paper we introduce a simplified method to describe the thermodynamic properties of integrable quantum impurity models. We show this method explicitly using the anisotropic Kondo and the interacting resonant level models. We derive a simplified expression for the free energy of both models in terms of a single physically transparent integral equation which is valid at all temperatures and values of the coupling constants.
This review paper describes the basic concept and technical details of sparse modeling and its applications to quantum many-body problems. Sparse modeling refers to methodologies for finding a small number of relevant parameters that well explain a given dataset. This concept reminds us physics, where the goal is to find a small number of physical laws that are hidden behind complicated phenomena. Sparse modeling extends the target of physics from natural phenomena to data, and may be interpreted as physics for data. The first half of this review introduces sparse modeling for physicists. It is assumed that readers have physics background but no expertise in data science. The second half reviews applications. Matsubara Greens function, which plays a central role in descriptions of correlated systems, has been found to be sparse, meaning that it contains little information. This leads to (i) a new method for solving the ill-conditioned inverse problem for analytical continuation, and (ii) a highly compact representation of Matsubara Greens function, which enables efficient calculations for quantum many-body systems.
This lecture note reviews recently proposed sparse-modeling approaches for efficient ab initio many-body calculations based on the data compression of Greens functions. The sparse-modeling techniques are based on a compact orthogonal basis representation, intermediate representation (IR) basis functions, for imaginary-time and Matsubara Greens functions. A sparse sampling method based on the IR basis enables solving diagrammatic equations efficiently. We describe the basic properties of the IR basis, the sparse sampling method and its applications to ab initio calculations based on the GW approximation and the Migdal-Eliashberg theory. We also describe a numerical library for the IR basis and the sparse sampling method, irbasis, and provide its sample codes. This lecture note follows the Japanese review article [H. Shinaoka et al., Solid State Physics 56(6), 301 (2021)].
We analyze the quantum phases, correlation functions and edge modes for a class of spin-1/2 and fermionic models related to the 1D Ising chain in the presence of a transverse field. These models are the Ising chain with anti-ferromagnetic long-range interactions that decay with distance $r$ as $1/r^alpha$, as well as a related class of fermionic Hamiltonians that generalise the Kitaev chain, where both the hopping and pairing terms are long-range and their relative strength can be varied. For these models, we provide the phase diagram for all exponents $alpha$, based on an analysis of the entanglement entropy, the decay of correlation functions, and the edge modes in the case of open chains. We demonstrate that violations of the area law can occur for $alpha lesssim1$, while connected correlation functions can decay with a hybrid exponential and power-law behaviour, with a power that is $alpha$-dependent. Interestingly, for the fermionic models we provide an exact analytical derivation for the decay of the correlation functions at every $alpha$. Along the critical lines, for all models breaking of conformal symmetry is argued at low enough $alpha$. For the fermionic models we show that the edge modes, massless for $alpha gtrsim 1$, can acquire a mass for $alpha < 1$. The mass of these modes can be tuned by varying the relative strength of the kinetic and pairing terms in the Hamiltonian. Interestingly, for the Ising chain a similar edge localization appears for the first and second excited states on the paramagnetic side of the phase diagram, where edge modes are not expected. We argue that, at least for the fermionic chains, these massive states correspond to the appearance of new phases, notably approached via quantum phase transitions without mass gap closure. Finally, we discuss the possibility to detect some of these effects in experiments with cold trapped ions.
We study an Anderson impurity embedded in a d-wave superconductor carrying a supercurrent. The low-energy impurity behavior is investigated by using the numerical renormalization group method developed for arbitrary electronic bath spectra. The results explicitly show that the local impurity state is completely screened upon the non-zero current intensity. The impurity quantum criticality is in accordance with the well-known Kosterlitz-Thouless transition.
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