Quantum impurities can host exotic many-body states that serve as sensitive probes of bath correlations. However, quantitative and non-perturbative methods for determining impurity thermodynamics in such settings remain scarce. Here, we introduce an impurity renormalization group approach that merges the tensor-network representation with the numerical renormalization group cutoff scheme. This method overcomes conventional limitations by treating bath correlations and impurity interactions on an equal footing. Applying our approach to the finite-temperature quantum critical regime of quantum spin systems, we uncover striking impurity-induced phenomena. In a coupled Heisenberg ladder, the impurity triggers a fractionalization of the local magnetic moment. Moreover, the derivative of the impurity susceptibility develops cusps that mark the crossover into the quantum critical regime. We also observe an exotic evolution of the spin correlation function driven by the interplay between bath correlations and the impurity. Our results demonstrate that this method can efficiently solve correlated systems with defects, opening new pathways to discovering novel impurity physics beyond those in non-interacting thermal baths.
Quantum impurities can host exotic many-body states that serve as sensitive probes of bath correlations. However, quantitative and non-perturbative methods for determining impurity thermodynamics in such settings remain scarce. Here, we introduce an impurity renormalization group approach that merges the tensor-network representation with the numerical renormalization group cutoff scheme. This method overcomes conventional limitations by treating bath correlations and impurity interactions on an equal footing. Applying our approach to the finite-temperature quantum critical regime of quantum spin systems, we uncover striking impurity-induced phenomena. In a coupled Heisenberg ladder, the impurity triggers a fractionalization of the local magnetic moment. Moreover, the derivative of the impurity susceptibility develops cusps that mark the crossover into the quantum critical regime. We also observe an exotic evolution of the spin correlation function driven by the interplay between bath correlations and the impurity. Our results demonstrate that this method can efficiently solve correlated systems with defects, opening new pathways to discovering novel impurity physics beyond those in non-interacting thermal baths.
Entanglement is a defining feature of quantum mechanics, and its relation to quantum criticality is of considerable current interest. Here we show that measurable spin and charge fluctuations provide an entanglement witness of quantum criticality in the two-impurity Kondo model, which has experimental realizations in terms of coupled quantum dots and magnetic impurities added to surfaces. We use density-matrix renormalization group and numerical renormalization group calculations to resolve the non-Fermi-liquid critical point separating two independently Kondo-screened impurities from an inter-impurity singlet and interpret it as a change in the dominant entanglement partner of each local moment: from entanglement of the local moment with an extended set of conduction-electron degrees of freedom to entanglement with the other impurity. This reorganization is accompanied by a singular response of the impurity-bath entanglement and the inter-impurity susceptibility. We show how the same structure is encoded in the quantum Fisher information of collective spin and charge operators at zero and finite temperatures, connecting the entanglement picture to experimentally accessible dynamical response functions. Our results establish impurity systems as controlled settings in which quantum-critical entanglement can be detected through measurable correlations, and provide further insight into the possibility of understanding heavy-fermion physics in terms of entanglement.
The pseudogap Kondo problem, describing a magnetic impurity embedded in an electronic environment with a power-law density of states, displays continuous quantum phase transitions between free and screened moment phases. In this paper we employ renormalization group techniques to analytically calculate universal crossover functions, associated to these transitions, for various observables. Quantitative agreement with the results of Numerical Renormalization Group (NRG) simulations is obtained for temperature-dependent static and zero-temperature dynamic quantities, at and away from criticality. In the notoriously difficult realm of finite-temperature low-frequency dynamics, usually inaccessible to both NRG and perturbative methods, we show that progress can be made by a suitable renormalization procedure in the framework of the Callan-Symanzik equations. Our general strategy can be extended to other zero-temperature phase transitions, both in quantum impurity models and bulk systems.
Strong correlations arising from interactions between particles are responsible for many phenomena in condensed matter physics, from superconductivity to heavy fermions. An accurate theoretical description of such complex systems requires to solve so-called many-body problems, which are inherently difficult to tackle due to the exponential growth of the underlying Fock space with the size of the system. Usually, single-particle descriptions or perturbation theory at first orders fail to provide satisfactory results in correlated regimes, and pertinent Ansätze or cutting edge numerical methods are required to solvethese problems.Among the wide variety of strongly correlated electronic systems, quantum impurity systems are of central interest. These systems, where a few localized degrees of freedom that undergo strong interactions hybridize with a larger system of free particles, have been widely studied for decades. Beyond their relevance to study dilute dynamic impurities in metals, quantum dots, or more complex nanostructures, they are exploited in a broader class of problems through dynamical mean field theory (DMFT), that is designed for fully interacting lattice problems. Despite the effort devoted to studying of these problems,some questions remain open and new approaches are required to address them.In this thesis, quantum impurity problems are tackled with the use of natural orbitals, a representation rooted in the framework of quantum chemistry. The numerical renormalization group, the standard non-perturbative method to treat these systems, is employed to demonstrate the hierarchical structure of correlations unveiled by natural orbitals. An ansatz for the wavefunction of the ground state is then proposed, separating explicitely a small set of correlated orbitals to a large uncorrelated one, leaving the problem to a few-body complexity. This simplification brought new insights for simulating quantumimpurity problems, and a new algorithm is developed to generate an optimized set of correlated orbitals independently of existing methods, going beyond their usual limitations.In the first place, the algorithm is used to compute the screening cloud in large one-dimensional chains and in a realistic 2D square lattice coupled to a localized adatom. This observable is of great interest to understand the screening mechanism of the magnetic moment of the impurity that plays a central role in transport properties, for unidimensional systems or in bulk metals experiencing RKKY interactions. Spatial correlations were found to be highly non-symmetric, breaking the s-wave picture. In one direction, corre-lations vanish way faster than the usual isotropic correlation length, while on the other one they spread further than this same expected length. This anisotropy suggests that impurities in bulk systems may interact differently depending on their relative positions with respect to the lattice.Taking further advantage of the efficiency of this new algorithm allowed us to perform a statistical study on large systems to investigate correlations around a quantum impurity in a disordered host, averaging over a large amount of realizations, which was not possible with previous approaches. The question motivating this study was the fate of the correlation cloud spreading into the disordered electronic bath. Although spatial correlations are expected to vanish when the disorder increases, long range correlationssurvive to some configurations of the potential, inducing a bimodal structure of probability distribution functions of relevant scales.Finally, these disordered problems are investigated in the non-interacting situation with random matrix theory, which reproduced qualitatively the results obtained before. The joint distribution of one-particle orbitals energies and amplitudes is calculated, which allows to compute any disordered averaged local correlation functions, and calculations in the large-N limit are presented.
Geometrically frustrated quantum impurities coupled to metallic leads have been shown to exhibit rich behavior with a quantum phase transition separating Kondo screened and local moment phases. Frustration in the quantum impurity can alternatively be introduced via Kitaev couplings between different spins of the impurity cluster. We use the numerical renormalization group (NRG) to study a range of systems where the quantum impurity comprising a Kitaev cluster is coupled to a bath of noninteracting fermions. The models exhibit a competition between Kitaev and Kondo dominated physics depending on whether the Kitaev couplings are greater or less than the Kondo temperature. We characterize the ground-state properties of the system and determine the temperature dependence of the crossover scale for the emergence of fractionalized degrees of freedom in the model. We also demonstrate qualitatively as well as quantitatively that in the Kondo limit, the complex impurity can be mapped to an effective two-impurity system, where the emergent spin 1/2 comprises of both Majorana and flux degrees of freedom. For a tetrahedral-shaped Kitaev cluster, an extra orbital degree of freedom closely related to a flux degree of freedom remains unscreened even in the presence of both Heisenberg and Kondo interactions.
We propose a multi-impurity method for the bond-weighted tensor renormalization group (BWTRG) to compute the higher-order moment of physical quantities in a two-dimensional system. The replacement of the bond weight with an impurity matrix in a bond-weighted triad tensor network represents a physical quantity such as the magnetization and the energy. We demonstrate that the accuracy of the proposed method is much higher than the conventional tensor renormalization group for the Ising model and the five-state Potts model. Furthermore, we perform the finite-size scaling analysis and observe that the dimensionless quantity characterizing the structure of the fixed point tensor satisfies the same scaling relation in the critical region as the Binder parameter. The estimated critical temperature dependence on the bond dimension indicates that the exponent relating the correlation length to the bond dimension varies continuously with respect to the BWTRG hyperparameter. We find that BWTRG with the optimal hyperparameter is more efficient in terms of computational time than alternative approaches based on the matrix product state in estimating the critical temperature.
We investigate the effective interaction between two localized spin impurities embedded in a frustrated spin-21J1–J2 Heisenberg chain. Treating the impurity spins as classical moments coupled locally to the host, we combine second-order perturbation theory with large-scale density matrix renormalization group (DMRG) calculations to determine the impurity–impurity interaction as a function of separation, coupling strength, and magnetic frustration. In the weak-coupling regime, we show that the interaction is governed by the static spin susceptibility of the host and exhibits oscillatory power-law decay in the gapless phase, modified by universal logarithmic corrections at the SU(2)-symmetric critical point. In the gapped dimerized phase, the interaction decays exponentially with distance. For intermediate and strong impurity–host coupling, we observe a crossover to a boundary-dominated regime characterized by pronounced parity effects associated with the length of the chain segment between impurities, signaling a breakdown of the simple RKKY-like description. Our results establish impurity–impurity interactions as a sensitive probe of frustrated quantum spin liquids and provide a controlled framework for distinguishing gapless and gapped phases through local perturbations. Abstract Published by the Jagiellonian University 2026 authors