Related papers: Mapping the metal-insulator phase diagram by algeb…
The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this work, we develop a transfer learning framework tailored for…
A generalized version of the fidelity susceptibility of single-band and multi-orbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time…
The possibility to directly measure, in a cold-atom quantum simulator, the von Neumann entropy and mutual information between a site and its environment opens new perspectives on the characterization of the Mott-Hubbard metal-insulator…
We analyze the unanalytical structure of metal-insulator transition (MIT) in infinite dimensions. By introducing a simple transformation into the dynamical mean-field equation of Hubbard model, a multiple-valued structure in Green's…
We present a new method, ePT, for extrapolating few known coefficients of a perturbative expansion. Controlled by comparisons with numerically exact quantum Monte Carlo (QMC) results, 10th order strong-coupling perturbation theory (PT) for…
The quantum Fourier transform for discrete variable (dvQFT) is an efficient algorithm for several applications. It is usually considered for the processing of quantum bits (qubits) and its efficient implementation is obtained with two…
Using the exact Bethe ansatz solution of the Hubbard model and Luttinger liquid theory, we investigate the density profiles and collective modes of one-dimensional ultra-cold fermions confined in an optical lattice with a harmonic trapping…
We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT+$U$ ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating…
While the traditional local-density approximation (LDA) cannot describe Mott insulators, {\it ab-initio} determination of the Hubbard $U$, for example, limits LDA-plus dynamical mean field theory (DMFT) approaches. Here, we attempt to…
The Anderson metal-insulator transition (MIT) is central to our understanding of the quantum mechanical nature of disordered materials. Despite extensive efforts by theory and experiment, there is still no agreement on the value of the…
Late transition-metal oxides with small charge-transfer energy $\Delta$ raise issues for state-of-the-art correlated electronic structure schemes such as the combination of density functional theory (DFT) with dynamical mean-field theory…
We investigate the neutral-to-ionic insulator-insulator transition in one-dimensional materials by treating a strong-coupling effective model based on the ionic Hubbard model using the density-matrix renormalization group and finite-size…
The Mott-Hubbard metal-insulator transition is investigated in a two-band Hubbard model within dynamical mean-field theory. To this end, we use a suitable extension of Wilson's numerical renormalization group for the solution of the…
A calculation technique in the context of the self-energy functional approach (SFA) and its local form, the dynamical impurity approach (DIA), will be proposed. This technique allows for a precise calculation of the derivatives of the grand…
Nonequilibrium dynamical mean-field theory (DMFT) solves correlated lattice models by obtaining their local correlation functions from an effective model consisting of a single impurity in a self-consistently determined bath. The recently…
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…
We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method,…
We study the quantum phase transition in $f$-electron systems as a quantum Lifshitz transition driven by selective Mott localization in a realistic extended Anderson lattice model. Using DMFT, we find that a quantum critical {\it phase}…
The dynamic Mott insulator-to-metal transition (DMT) is key to many intriguing phenomena in condensed matter physics yet it remains nearly unexplored. The cleanest way to observe DMT, without the interference from disorder and other effects…
We investigate the Mott transition in the anisotropic kagom\'e lattice Hubbard model using the cellular dynamical mean field theory combined with continuous-time quantum Monte Carlo simulations. By calculating the double occupancy and the…