Related papers: A Scalable Configuration-Interaction Impurity Solv…
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…
Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei... As progress in the design of inter-nucleon interactions is made, further efforts must be made to tailor many-body methods.…
We analyze cellular dynamical mean-field theory (CDMFT) and the dynamical cluster approximation (DCA). We derive exact sum-rules for the hybridization functions and give examples for DMFT, CDMFT, and DCA. For impurity solvers based on a…
Near-term quantum processors are limited in terms of the number of qubits and gates they can afford. They nevertheless give unprecedented access to programmable quantum systems that can efficiently, although imperfectly, simulate quantum…
We present a functional interpolation approach within the auxiliary master equation framework to efficiently and accurately solve correlated impurity problems in nonequilibrium dynamical mean-field theory (DMFT). By leveraging a near-exact…
We improve a recently developed expansion technique for calculating real frequency spectral functions of any one-dimensional model with short-range interactions, by postprocessing computed Chebyshev moments with linear prediction. This can…
We present a new high-performance configuration interaction code optimally designed for the calculation of the lowest energy eigenstates of a few electrons in semiconductor quantum dots (also called artificial atoms) in the strong…
Adaptive Molecular Resolution approaches in Molecular Dynamics are becoming relevant tools for the analysis of molecular liquids characterized by the interplay of different physical scales. The essential difference among these methods is in…
An Anderson impurity in a Hubbard model on chains with finite length is studied using the density-matrix renormalization group (DMRG) technique. In the first place, we analyzed how the reduction of electron density from half-filling to…
We present the concept, derivation, and implementation of dynamical configuration interaction, a quantum embedding theory that combines Green's function methodology with the many-body wave function. In a strongly-correlated active space, we…
We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field…
Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diagonalization. Here, we analyze the performance of QSCI…
An exactly solvable one-dimensional Hubbard model with a single Anderson impurity embedded at the boundary is constructed in the framework of the quantum inverse scattering method. The model is solved exactly by the nested Bethe ansatz…
We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method. Our method provides a maximally localized quantum impurity…
We present an efficient impurity solver for the dynamical mean-field theory (DMFT). It is based on the separation of bath degrees of freedom into the low energy and the high energy parts. The former is solved exactly using exact…
Waveguide lattices offer a compact and stable platform for a range of applications, including quantum walks, topological effects, condensed matter system simulation, and classical and quantum information processing. In such lattices, the…
We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the seniority number (i.e., the number of unpaired electrons)…
Solving the Anderson impurity model typically involves a two-step process, where one first calculates the ground state of the Hamiltonian, and then computes its dynamical properties to obtain the Green's function. Here we propose a hybrid…
As a milestone for general-purpose computing machines, we demonstrate that quantum processors can be programmed to efficiently simulate dynamics that are not native to the hardware. Moreover, on noisy devices without error correction, we…
The Anderson impurity model (AIM) is of fundamental importance in condensed matter physics to study strongly correlated effects. However, accurately solving its long-time dynamics still remains a great numerical challenge. An emergent and…