Related papers: Self-Consistent Determination of Single-Impurity A…
First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first…
We present a theoretical framework to describe experiments directed to controlling single-atom spin dynamics by electrical means using a scanning tunneling microscope. We propose a simple model consisting of a quantum impurity connected to…
An active area of investigation in the search for quantum advantage is Quantum Machine Learning. Quantum Machine Learning, and Parameterized Quantum Circuits in a hybrid quantum-classical setup in particular, could bring advancements in…
We present a new method to calculate directly the one-particle self-energy of an impurity Anderson model with Wilson's numerical Renormalization Group method by writing this quantity as the ratio of two correlation functions. This way of…
Based on Yosida's ground state of the single-impurity Kondo Hamiltonian, we study three kinds of entanglement between an impurity and conduction electron spins. First, it is shown that the impurity spin is maximally entangled with all the…
Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…
We propose a hybrid quantum-classical eigensolver to address the computational challenges of simulating strongly correlated quantum many-body systems, where the exponential growth of the Hilbert space and extensive entanglement render…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
We study the spin-1/2 single-channel Anderson impurity model with correlated (occupancy dependent) hybridization for molecular transistors using the numerical renormalization-group method. Correlated hybridization can induce nonuniversal…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly…
We derive equations of motion for Green's functions of the multi-orbital Anderson impurity model by differentiating symmetrically with respect to all time arguments. The resulting equations relate the one- and two-particle Green's function…
We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson…
We present an efficient separation of variables algorithm for the evaluation of imaginary time Feynman diagrams appearing in the bold pseudo-particle strong coupling expansion of the Anderson impurity model. The algorithm uses a fitting…
We compute exactly the low-energy single-electron Green's function, the impurity and electron self-energies, and the resistivity for the two-channel Anderson impurity model. These results are obtained by exploiting the boundary conformal…
We develop a continuous-time quantum Monte Carlo method based on a strong-coupling expansion for Anderson impurity models with phonon-assisted hybridizations for arbitrary number of phonon modes. As a benchmark, we investigate the…
Dynamical mean-field theory (DMFT) maps the local Green's function of the Hubbard model to that of the Anderson impurity model and thus gives an approximate solution of the Hubbard model from the solution of simpler quantum impurity model.…
Moir\'e and super-moir\'e materials provide exceptional platforms to engineer exotic correlated quantum matter. The vast number of sites required to model moir\'e systems in real space remains a formidable challenge due to the immense…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
The correlated Kondo-lattice model is used to describe the interaction of electrons in a single conduction band with localized magnetic moments as well as their mutual repulsion. It is our intension to provide an analytical exact result for…