Related papers: Self-Consistent Determination of Single-Impurity A…
We introduce a systematic low-energy approach to strongly correlated electron systems in infinite dimensions, and apply it to the problem of the correlation-induced metal-insulator transition in the half-filled Hubbard model. We determine…
Quantum simulators offer the potential to utilize the quantum nature of a physical system to study another physical system. In contrast to conventional simulation, which experiences an exponential increase in computational complexity,…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…
Recently, a series of noncentrosymmetric superconductors has been a subject of considerable interest since the discovery of superconductivity in CePt_3Si. In noncentrosymmetric materials, the degeneracy of bands is lifted in the presence of…
We extend finite-temperature tensor network methods to compute Matsubara imaginary-time correlation functions, building on the minimally entangled typical thermal states (METTS) and purification algorithms. While imaginary-time correlation…
We study the interacting, symmetrically coupled single impurity Anderson model. By employing the nonequilibrium Green's function formalism, we establish an exact relationship between the steady-state charge current flowing through the…
A review of electronic dynamics of single-impurity and many-impurity Anderson models is contained in this report. Those models are used widely for many of the applications in diverse fields of interest, such as surface physics, theory of…
Using a recently developed quantum embedding theory, we present first principles calculations of strongly correlated states of spin defects in diamond. Within this theory, effective Hamiltonians are constructed, which can be solved by…
The present paper reviews recent achievements on the ab initio determination of effective model Hamiltonians aimed at the description of strongly correlated materials. These models (Heisenberg, $t-J$, extended Hubbard, Kondo, etc) are…
The Kondo effect is one of the most studied examples of strongly correlated quantum many-body physics. Another type of strongly correlated physics that has only recently been explored in detail (and become experimentally accessible) is that…
We develop a method for calculating the self-energy of a quantum impurity coupled to a continuous bath by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization, using the noninteracting…
An investigation is presented of the utility of semiclassical approximations for solving the quantum-impurity problems arising in the dynamical-mean-field approach to the correlated-electron models. The method is based on performing a exact…
Hybrid classical-quantum algorithms aim at variationally solving optimisation problems, using a feedback loop between a classical computer and a quantum co-processor, while benefitting from quantum resources. Here we present experiments…
We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We consider iron in aluminum nitride, a material of interest for…
The strongly correlated two-electron transport in one-dimensional channel coupled with an Anderson-type impurity is solved exactly via a Bethe ansatz approach. We show that the transport properties are fundamentally different for spin…
Super-moir\'e materials represent a novel playground to engineer states of matter beyond the possibilities of conventional moir\'e materials. However, from the computational point of view, understanding correlated matter in these systems…
We propose a method for computing space-resolved correlation properties of the two-dimensional Hubbard model within a quantum-classical embedding strategy that uses a Noisy, Intermediate Scale Quantum (NISQ) computer to solve the embedded…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…
We review a recently developed method, based on a pseudoparticle representation of correlated electrons, to describe both Fermi liquid and non-Fermi liquid behavior in quantum impurity systems. The role of the projection onto the physical…