Related papers: Low-energy models for correlated materials: bandwi…
We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
The present paper reviews recent achievements on the ab initio determination of effective model Hamiltonians aimed at the description of strongly correlated materials. These models (Heisenberg, $t-J$, extended Hubbard, Kondo, etc) are…
We consider the 2D Hubbard model on the honeycomb lattice, as a model for a single layer graphene sheet in the presence of screened Coulomb interactions. At half filling and weak enough coupling, we compute the free energy, the ground state…
We demonstrate the generation of Coulomb-correlated pair, triple and quadruple states of free electrons by femtosecond photoemission from a nanoscale field emitter inside a transmission electron microscope. Event-based electron spectroscopy…
We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from…
A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…
Excitonic effects in metals are commonly supposed to be weak, because the Coulomb interaction is strongly screened. We investigate the low-density regime of the homogeneous electron gas, where low-energy collective excitations and ghost…
We investigate how the renormalization of the band gap in a planar 2D material is affected by the consideration of two nondispersive semi-infinite dielectrics, with dielectric constants $\epsilon_1$ and $\epsilon_2$, separated by a planar…
Light-front quantum chromodynamics may lead to an accurate constituent approximation for the low-energy properties of hadrons. This requires a cutoff that violates explicit gauge invariance and Lorentz covariance, leading to the calculation…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…
The effective Hamiltonian of strongly correlated electrons on a square lattice is replaced by a renormalised Hamiltonian and the factors that renormalise the kinetic energy of holes and the Heisenberg spin-spin coupling are calculated using…
Density-matrix renormalization group is used to study the pairing when both of electron-electron and electron-phonon interactions are strong in the Holstein-Hubbard model at half-filling in a region intermediate between the adiabatic…
One important yet exceedingly rare property of the cuprate high-temperature superconductors is the presence of a single correlated $d$ band in the low-energy spectrum, leading to the one-band Hubbard model as the minimal description. In…
The strong-interaction limit of the Hohenberg-Kohn functional defines a multimarginal optimal transport problem with Coulomb cost. From physical arguments, the solution of this limit is expected to yield strictly-correlated particle…
We present efficient angle-dependent low-energy Hamiltonians to describe the properties of the twisted bilayer graphene (tBLG) heterostructure, based on {\it ab initio} calculations of mechanical relxation and electronic structure. The…
We study quenched disorder in strongly correlated systems via holography, focusing on the thermodynamic effects of mild electric disorder. Disorder is introduced through a random potential which is assumed to self-average on macroscopic…
The wavefunction method provides us with a useful tool to describe electron correlations in solids at the ground state. In this paper we review the recent development of the momentum-dependent local ansatz wavefunction (MLA). It is…
We study a magnetic impurity embedded in a correlated electron system using the density-matrix renormalization group method. The correlated electron system is described by the one-dimensional Hubbard model. At half filling, we confirm that…
We explore the roles of electronic band structure and Coulomb interactions in solid-state HHG by studying the optical response of linear atomic chains and carbon nanotubes to intense ultrashort pulses. Specifically, we simulate electron…