Related papers: Imaginary-time matrix product state impurity solve…
Quantum Monte Carlo and semiclassical methods are used to solve two and four site cluster dynamical mean field approximations to the square lattice Hubbard model at half filling and strong coupling. The energy, spin correlation function,…
We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix…
We present an infinite Grassmann time-evolving matrix product operator method for quantum impurity problems, which directly works in the steady state. The method embraces the well-established infinite matrix product state algorithms with…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory (DMFT) based on equations of motion (EOM) of Green's functions and decoupling scheme. In this scheme the inter-orbital Coulomb interactions are…
We consider integrable Matrix Product States (MPS) in integrable spin chains and show that they correspond to "operator valued" solutions of the so-called twisted Boundary Yang-Baxter (or reflection) equation. We argue that the…
The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Mean Field Theory (DMFT) is a successful approach that…
High accuracy Monte Carlo simulation results for 1024*1024 Ising system with ferromagnetic impurity bonds are presented. Spin-spin correlation function at a critical point is found to be numerically very close to that of a pure system. This…
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…
As a method beyond the mean-field analysis, a matrix product state (MPS) with incommensurate periodicity is applied to detect phase transitions accompanied with periodicity change, where the incommensurate MPS is generated by acting…
We study the spin-resolved spectral properties of the impurity states associated to the presence of magnetic impurities in two-dimensional, as well as one-dimensional systems with Rashba spin-orbit coupling. We focus on Shiba bound states…
We investigate the effects of the spin-orbit coupling (SOC) in a three-orbital impurity model with Kanamori interaction using the numerical renormalization group method. We focus on the impurity occupancy $N_d=2$ relevant to the dynamical…
Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of…
We show how to use diagrammatic techniques to compute the weak-coupling perturbation series of the self-consistent solution to a Dynamical Mean Field Theory (DMFT) problem. This approach constitutes an alternative to using diagrammatic…
Orbital and spin ordering phenomena in strongly correlated systems are commonly studied using the local-density approximation + dynamical mean-field theory approach. Typically, however, such simulations are restricted to simplified models…
Sampling problems have emerged as a central avenue for demonstrating quantum advantage on noisy intermediate-scale quantum devices. However, physical noise can fundamentally alter their computational complexity, often making them…
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…
Numerical methods capable of handling nonequilibrium impurity models are essential for the study of transport problems and the solution of the nonequilibrium dynamical mean field theory (DMFT) equations. In the strong correlation regime,…
We propose a way to construct a thermal pure quantum matrix product state (TPQ-MPS) that can simulate finite temperature quantum many-body systems with a minimal numerical cost comparable to the matrix product algorithm for the ground…
We investigate quantum impurity problems, where a local magnetic moment is coupled to the spin density of a bosonic environment, leading to bosonic versions of the standard Kondo and Anderson impurity models. In a physical situation, these…