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Dynamical mean-field theory describes the impact of strong local correlation effects in many-electron systems. While the single-particle spectral function is directly obtained within the formalism, two-particle susceptibilities can also be…
We determine theoretically the effect of spin-orbit coupling on the magnetic excitation spectrum of itinerant multi-orbital systems, with specific application to iron-based superconductors. Our microscopic model includes a realistic…
Due to non-linear structure, iterative Green's function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular…
Supposing the spin-triplet superconducting state of Sr$_2$RuO$_4$, the spin-orbit (SO) coupling associated with relative motion in Cooper pairs is calculated by extending the method for the dipole-dipole coupling given by Leggett in the…
The calculations of the local and global properties of two band superconductors have been presented with particular attention to the role of the inter-orbital scattering of pairs. The properties of such superconductors are very different…
Quantum spin impurities coupled to superconductors are under intense investigation for their relevance to fundamental research as well as the prospects to engineer novel quantum phases of matter. Here we develop a large-$N$ mean-field…
Compactly representing and efficently applying linear operators are fundamental ingredients in tensor network methods for simulating quantum many-body problems and solving high-dimensional problems in scientific computing. In this work, we…
We investigate the performance of Green's function coupled cluster singles and doubles (CCSD) method as a solver for Green's function embedding methods. To develop an efficient CC solver, we construct the one-particle Green's function from…
The van Hove autocorrelation function of the impurity is obtained which is exact to the first order in the vacancy concentration. It is found that in the case of strong vacancy-impurity binding a singularity in the van Hove function…
The superconducting (SC) pairing symmetry and its link to time-reversal symmetry breaking (TRSB) in the vanadium-based kagome superconductors remain unresolved, with ambiguities stemming from sublattice interference and charge-density-wave…
The Anderson Impurity Model (AIM) is a canonical model of quantum many-body physics. Here we investigate whether machine learning models, both neural networks (NN) and kernel ridge regression (KRR), can accurately predict the AIM spectral…
We investigate different geometries of spin-1/2 nitrogen impurity channels for distributing entanglement between pairs of remote nitrogen vacancy centers (NVs) in diamond. To go beyond the system size limits imposed by directly solving the…
Using the natural orbitals renormalization group (NORG) method, we have investigated the screening of the local spin of an Anderson impurity interacting with the helical edge states in a quantum spin Hall insulator. We find that there is a…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
Nonequilibrium dynamical mean-field theory (DMFT) solves correlated lattice models by obtaining their local correlation functions from an effective model consisting of a single impurity in a self-consistently determined bath. The recently…
We present an approach for entangling electron spin qubits localized on spatially separated impurity atoms or quantum dots via a multi-electron, two-level quantum dot. The effective exchange interaction mediated by the dot can be understood…
In this paper we develop a novel method to solve problems involving quantum optical systems coupled to coherent quantum feedback loops featuring time delays. Our method is based on exact mappings of such non-Markovian problems to equivalent…
Dynamic autocorrelations $<S_i^{\alpha}(t) S_i^{\alpha}>$ (\alpha=x,z) of an isolated impurity spin in a S=1/2 XX chain are calculated. The impurity spin, defined by a local change in the nearest-neighbor coupling, is either in the bulk or…
Quantum states induced by single-atomic-impurities are the current frontier of material and information science. Recently the spin-orbit coupled correlated kagome magnets are emerging as a new class of topological quantum materials,…
Two electronic channels competing to screen a single impurity spin, as in the two-channel Kondo model, are expected to generate a ground state with nontrivial entanglement structure. We exploit a spin-chain representation of the two-channel…