Related papers: Strong Coupling Solver for the Quantum Impurity Mo…
High-temperature superconductivity emerges in a host of different quantum materials, often in a region of the phase diagram where the electronic kinetic energy is comparable in magnitude with the electron-electron Coulomb repulsion.…
Nanoscale physics and dynamical mean field theory have both generated increased interest in complex quantum impurity problems and so have focused attention on the need for flexible quantum impurity solvers. Here we demonstrate that the…
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…
The Hubbard model in the strong-coupling regime is mainly studied by Kondo-lattice theory or 1/d expansion theory, with d the spatial dimensionality. In two dimensions and higher, the ground state within the Hilbert subspace with no order…
In this study, we introduce a novel implementation of density functional theory integrated with single-site dynamical mean-field theory to investigate the complex properties of strongly correlated materials. This comprehensive…
A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…
We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
Optical conductivity of the weakly doped two-dimensional repulsive Hubbard model on the square lattice with nearest and next nearest hoppings is calculated within the generalized dynamical-mean field (DMFT+\Sigma_p) approach which includes…
We studied several aspects of the Mott metal-insulator transition in the disordered case. The model on which we based our analysis is the disordered Hubbard model, which is the simplest model capable of capturing the Mott metal-insulator…
Neural quantum states (NQS) have emerged as a promising approach to solve second-quantized Hamiltonians, because of their scalability and flexibility. In this work, we design and benchmark an NQS impurity solver for the quantum embedding…
We discuss the dynamics of magnetic moments in d-wave superconductors, in particular we focus on moments induced by doping non-magnetic impurities into cuprates. The interaction of such moments with the Bogoliubov quasiparticles of the…
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…
We present a universal theory for the critical behavior of an impurity at the two-dimensional superfluid-Mott insulator transition. Our analysis is motivated by a numerical study of the Bose-Hubbard model with an impurity site by Huang et…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
We study the unitary time evolution of antiferromagnetic order in the Hubbard model after a quench starting from the perfect N\'eel state. In this setup, which is well suited for experiments with cold atoms, one can distinguish…
We develop a strong-coupling perturbation scheme for a generic Hubbard model around a half-filled particle-hole-symmetric reference system, which is free from the fermionic sign problem. The approach is based on the lattice determinantal…
It is shown that a minimum realization of the dynamical mean-field theory (DMFT) can be achieved by mapping a correlated lattice model onto an impurity model in which the impurity is coupled to an uncorrelated bath that consists of a single…
We study the response of a thermal state of the Hubbard-like system to either global or local non-Hermitian perturbation, which coalesces the degenerate ground state within the $U(1)$ symmetry breaking phase. We show that the dynamical…
Quantum impurity models provide a central framework for correlated electron physics, with quantum dots enabling controlled experimental realizations. While their weak-coupling behavior is well understood through mappings to Kondo…