Related papers: A mathematical analysis of IPT-DMFT

We calculate the one-particle density of states for the Mott-Hubbard insulating phase of the Hubbard model on a Bethe lattice in the limit of infinite coordination number. We employ the Kato-Takahashi perturbation theory around the…

Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…

Recent studies of electrical transport, both theoretical and experimental, near the bandwidth-tuned Mott metal-insulator transition have uncovered apparent quantum critical scaling of the electrical resistivity at elevated temperatures,…

We propose a straightforward and efficient procedure to perform dynamical mean-field (DMFT) calculations on the top of the static mean-field LDA+U approximation. Starting from self-consistent LDA+U ground state we included multiplet…

Electronic friction-Langevin dynamics (EF-LD) provides an efficient framework for capturing nonadiabatic effects at solid surfaces, with particular relevance to electrochemistry and molecular electronics. In this work, we investigate…

We analyze the normal phase of the attractive Hubbard model within dynamical mean-field-theory. We present results for the pair-density, the spin-susceptibility, the specific heat, the momentum distribution, and for the quasiparticle…

In this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has…

We construct a new functional for the single particle Green's function, which is a variant of the standard Baym Kadanoff functional. The stability of the stationary solutions to the new functional is directly related to aspects of the…

We propose a new way of analyzing the Hubbard model using equations of motion (EOM) for the higher-order Green's functions approach within the DMFT scheme. In calculating the higher order Green function we will differentiate over both Times…

We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean-field finite-temperature density matrix up to a given order…

We consider the finite temperature metal-insulator transition in the half filled paramagnetic Hubbard model on the infinite dimensional Bethe lattice. A new method for calculating the Dynamical Mean Field Theory fixpoint surface in the…

For treating correlated electronic systems on quantum computers, we propose a quantum-classical hybrid scheme for dynamical mean-field theory (DMFT). In the quantum part of the scheme, we use modified quantum phase estimation (QPE) circuits…

A system of equations resulting from an approximation of the equation of motion of Green functions for correlated electron systems is usually solved using Matsubara technique. In this work we propose an alternative method which works…

We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at…

The single particle Green's function provides valuable information on the momentum and energy-resolved spectral properties for a strongly correlated system. In large-scale numerical calculations using quantum Monte Carlo (QMC), dynamical…

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,…

Nonlocal correlations play an essential role in correlated electron systems, especially in the vicinity of phase transitions and crossovers, where two-particle correlation functions display a distinct momentum dependence. In nonequilibrium…

We solve the Periodic Anderson model in the Mott-Hubbard regime, using Dynamical Mean Field Theory. Upon electron doping of the Mott insulator, a metal-insulator transition occurs which is qualitatively similar to that of the single band…

Mean-field theory is an approximation replacing an extended system by a few variables. For depinning of elastic manifolds, these are the position of its center of mass $u$, and the statistics of the forces $F(u)$. There are two proposals to…

Classical density functional theory (DFT) is the primary method for investigations of inhomogeneous fluids in external fields. It requires the excess Helmholtz free energy functional as input to an Euler-Lagrange equation for the one-body…