Related papers: Efficient DMFT impurity solver using real-time dyn…
Numerical results for ground state and excited state properties (energies, double occupancies, and Matsubara-axis self energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an…
The self-energy-functional approach proposed recently is applied to the single-band Hubbard model at half-filling to study the Mott-Hubbard metal-insulator transition within the most simple but non-trivial approximation. This leads to a…
We study a proof-of-principle example of the recently proposed hybrid quantum-classical simulation of strongly correlated fermion models in the thermodynamic limit. In a "two-site" dynamical mean-field theory (DMFT) approach we reduce the…
We formulate the third harmonic generation (THG) within the dynamical mean field theory (DMFT) approximation of the Hubbard model. In the limit of large dimensions, where DMFT becomes exact, the vertex corrections to current vertices are…
The formalism for exactly calculating the retarded and advanced Green's functions of strongly correlated lattice models in a uniform electric field is derived within dynamical mean-field theory. To illustrate the method, we solve for the…
The recently proposed Householder transformed density-matrix functional embedding theory (Ht-DMFET) [Sekaran et al., Phys. Rev. B 104, 035121 (2021)], which is equivalent to (but formally simpler than) density matrix embedding theory (DMET)…
We present here two alternative schemes designed to correct the high-frequency truncation errors in the numerical treatment of the Bethe-Salpeter equations. The schemes are applicable to all Bethe-Salpeter calculations with a local…
In this paper, we present an efficient and stable method to determine the one-particle Green's function in the hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo method, within the framework of the dynamical mean-field…
We investigate the dynamical superlattice correlation in the two-dimensional three-band Hubbard model on the basis of the unrestricted fluctuation exchange approximation. We calculate the one-particle spectral function, the spin correlation…
Tensor-network-based methods are promising candidates to solve quantum impurity problems. They are free of sampling noises and the sign problem compared to state-of-the-art continuous-time quantum Monte Carlo methods. Recent progress made…
Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…
The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…
Calculation of conductivity in the Hubbard model is a challenging task. Recent years have seen much progress in this respect and numerically exact solutions are now possible in certain regimes. In this paper we discuss the calculation of…
Analytical complexity of quantum wavefunction whose argument is extended into the complex plane provides an important information about the potentiality of manifesting complex quantum dynamics such as time-irreversibility, dissipation and…
Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical…
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…
We use non-equilibrium dynamical mean-field theory in combination with a recently developed Quantum Monte Carlo impurity solver to study the real-time dynamics of a Hubbard model which is driven out of equilibrium by a sudden increase in…
Density of states, dynamic (optical) conductivity and phase diagram of paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean-field theory (DMFT+Sigma…
The development of polynomial cost solvers for correlated quantum impurity models, with controllable errors, is a central challenge in quantum many-body physics, where these models find applications ranging from nano-science to the…
We present a novel mapping for studying 2D many-body quantum systems by solving an effective, one-dimensional long-range model in place of the original two-dimensional short-range one. In particular, we address the problem of choosing an…