Related papers: Dynamical Spectral Weight Transfer in the Orbital …
In order to numerically study electron correlation effects in multi-orbital systems, we propose a new type of discrete transformation for the exchange (Hund's coupling) and pair-hopping interactions to be used in the dynamical mean field…
Low-energy excitations in correlated electron systems may show intricate behaviors and provide essential insights into the dynamics of quantum states and phase transitions. Here, we study a typical half-filled two-orbital Hubbard model…
The Hubbard model is a standard theoretical tool for studying materials with strong electron-electron interactions, such as the cuprate superconductors. Unfortunately, interaction-driven phenomena such as the transition into the strongly…
The anisotropic degenerate two-orbital Hubbard model is studied within dynamical mean-field theory at low temperatures. High-precision calculations on the basis of a refined quantum Monte Carlo (QMC) method reveal that two distinct…
We investigate the metal insulator transitions at finite temperature for the Hubbard model with diagonal alloy disorder. We solve the dynamical mean field theory equations with the non crossing approximation and we use the coherent…
We study the electronic band-structure and transport properties of a CuO2-plane within the three-band Hubbard model. The Dynamical Mean-Field Theory (DMFT) is used to solve the many particle problem. The calculations show that the optical…
We apply the dynamical mean field theory (DMFT) in the iterative perturbation theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a simple cubic lattice and calculate the spectrum and optical conductivity in…
The Hilbert-Huang transform (HHT) consists of empirical mode decomposition (EMD), which is a template-free method that represents the combination of different intrinsic modes on a time-frequency map (i.e., the Hilbert spectrum). The…
In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the one-dimensional Hubbard model for all values of the on-site repulsion $U$. We find that for…
Spectroscopy experiments are routinely used to characterize the behavior of strongly correlated systems. An in-depth understanding of the different spectral features is thus essential. Here, we show that the spectrum of the multiorbital…
Motivated by the recent experimental findings on the orbital ordering of cuprate SC, we have investigated the multi-orbital Hubbard model in the framework of Cu impurity approximation embedded in the O lattice by incorporating the 3d$^{8}$…
The physics of the strongly interacting Hubbard chain (with $t/U \ll 1$) at finite temperatures undergoes a crossover to a spin incoherent regime when the temperature is very small relative to the Fermi energy, but larger than the…
It is shown that at low densities, quantum dots with few electrons may be mapped onto effective charge-spin models for the low-energy eigenstates. This is justified by defining a lattice model based on a many-electron pocket-state basis in…
We study a multi-band Hubbard model in its orbital selective Mott phase, in which localized electrons in a narrow band coexist with itinerant electrons in a wide band. The low-energy physics of this phase is shown to be closely related to…
State-selected total cross sections and thermal rate coefficients are computed for the HD + $ortho$-/$para$-H$_2$ rotational energy transfer collision at low temperatures: 2 K $\lesssim$ T $\lesssim$ 300 K. A modified H$_2$-H$_2$ potential…
Accurate simulation the many-electronic nonadiabatic dynamics process at metal surfaces remains as a significant task. In this work, we present an orbital surface hopping (OSH) algorithm rigorously derived from the orbital quantum classical…
We study the Mott metal-insulator transition in the two-band Hubbard model with different hopping amplitudes $t_1$ and $t_2$ for the two orbitals on the two-dimensional square lattice by using {\it non-magnetic} variational wave functions,…
Gross-Oliveira-Kohn density-functional theory (GOK-DFT) is an extension of DFT to excited states where the basic variable is the ensemble density, i.e. the weighted sum of ground- and excited-state densities. The ensemble energy (i.e. the…
The comprehensive study of the temperature dependent x-ray absorption spectroscopy (XAS) reveals a dynamical spectral weight $\alpha$ in YBa$_2$Cu$_3$O$_y$ (YBCO). Large spectral weight changes for both the Upper Hubbard band and the…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…