Related papers: Deriving the one-electron Spectral Function for th…
The Density Functional Theory plus Hubbard $U$ (DFT+$U$) technique is one of the most widely used tools by condensed matter physicists and solid state chemists for the simulation of transition-metal and lanthanide bearing crystals, and…
The appearance of certain spectral features in one-dimensional (1D) cuprate materials has been attributed to a strong, extended attractive coupling between electrons. Here, using time-dependent density matrix renormalization group methods…
We present an approach which is based on the one-particle irreducible (1PI) generating functional formalism and includes electronic correlations on all length-scales beyond the local correlations of dynamical mean field theory (DMFT). This…
In this paper we consider the {\it Density Functional Theory} (DFT) framework, where a functional of the form $$F_\eps(\rho)=\eps T(\rho)+bC(\rho)-U(\rho)$$ has to be minimized in the class of non-negative measures $\rho$ which have a…
We present dynamical mean field theory (DMFT) results for the local spectral densities of the one- and two-particle response functions for the infinite dimensional Hubbard model in a magnetic field. We look at the different regimes…
We present the doping dependence of the spectral functions, density of states and low frequency behavior of the self-energy for the 2D Hubbard model on the basis of our recently developed theory for the Hubbard model. Strong 2D critical…
Electron dynamics in quantum dots manifests itself in spin-flip spectra through electric dipole spin resonance (EDSR). Near a neutrality point separating two different singlet charged states of a double quantum dot, charge dynamics inside a…
The electronic and vibrational properties and electron-phonon couplings of one-dimensional materials will be key to many prospective applications in nanotechnology. Dimensionality strongly affects these properties and has to be correctly…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
The one-electron density of states for the half-filled Hubbard model on a triangular lattice is studied as a function of both temperature and Hubbard U using Quantum Monte Carlo. We find three regimes: (1) a strong-coupling Mott-Hubbard…
Equations for the electron Green's function of the two-dimensional Hubbard model, derived using the strong coupling diagram technique, are self-consistently solved for different electron concentrations $n$ and tight-binding dispersions.…
We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…
We calculate the excitation spectra of a spin-polarized Hubbard chain away from half-filling, using a high-precision momentum-resolved time-dependent Density Matrix Renormalization Group method. Focusing on the U<0 case, we present in some…
We present a study of the one dimensional Su-Schrieffer-Heeger model Hamiltonian by a diagrammatic perturbative method in the weak electron-phonon coupling regime. Exact computation of both the charge carrier effective mass and the electron…
We present a density functional theory (DFT) for lattice models with local electron-electron (e-e) and electron-phonon (e-ph) interactions. Exchange-correlation potentials are derived via dynamical mean field theory for the…
Effective Field Theory (EFT) extensions of the Standard Model are tools to compute observables $\big(e.g.$ cross sections with partonic center-of-mass energy $\sqrt{\hat{s}}\,\big)$ as a systematically improvable expansion suppressed by a…
We constructed the one-particle spectral functions (diagonal and off-diagonal) which reproduce BCS for weak coupling and which take into account the effect of correlations on superconductivity in the attractive Hubbard model. The diagonal…
The problem of spin-charge separation is analyzed numerically in the metallic phase of the one-band Hubbard model in one dimension by studying the behavior of the single-particle Green's function and of the spin and charge susceptibilities.…
We consider single-particle spectra of a symmetric narrow-band Anderson impurity model, where the host bandwidth $D$ is small compared to the hybridization strength $\Delta_{0}$. Simple 2nd order perturbation theory (2PT) in $U$ is found to…
The single-particle dynamics close to a metal-to-insulator transition induced by strong repulsive interaction between the electrons is investigated. The system is described by a half-filled Hubbard model which is treated by dynamic…