Related papers: Dynamic Hubbard model for solids with hydrogen-lik…
We present an efficient method for incorporating the dynamical effects of the screening of the Hubbard U by electronic degrees of freedom in the solid into the single site dynamical mean field approximation. The formalism is illustrated by…
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of vibronic coupling with multi-reference wavefunction methods…
We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic…
We have studied the extended Hubbard model with pair hopping in the atomic limit for arbitrary electron density and chemical potential. The Hamiltonian considered consists of (i) the effective on-site interaction U and (ii) the intersite…
A theory for laser-driven electron dynamics and high-harmonic generation in bulk solids with two lattice sites per unit cell of arbitrary dimension is formulated. In tight-binding approximation, such solids can be described by $2\times 2$…
The frequency dependence of dynamical conductivity of the quasi-one-dimensional structures with hydrogen bonds is studied on the basis of pseudospin-electron model. It takes into account the proton-electron interaction, external…
Rigid bodies, plastic impact, persistent contact, Coulomb friction, and massless limbs are ubiquitous simplifications introduced to reduce the complexity of mechanics models despite the obvious physical inaccuracies that each incurs…
By revisiting the path-integral formulation of the Hubbard model, we propose a theoretical approach based on a semiclassical approximation employing an unconventional coherent-state representation. Within this framework, a subset of the…
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…
We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body…
A number of methods are discussed which may serve for a treatment of electron correlations in solids. When the electron correlations are relatively weak like in semiconductors or a number of ionic crystals one may start from a…
We study the two-orbital Hubbard model in the limit of vanishing kinetic energy. The phase diagram in the $V-J$ plane, with $V$ and $J$ denoting the interorbital hybridization and exchange coupling respectively, at half filling is obtained.…
Paper: cond-mat/9311033 The Hubbard model of interacting electrons, like the Ising model of spin-spin interactions, is the simplest possible model displaying many ``real world'' features, but it is much more difficult to analyze…
We construct a simple model for electrons in a three-dimensional crystal where a combination of short-range hopping and spin-orbit coupling results in nearly flat bands characterized by a non-trivial Z2 topological index. The flat band is…
Conservation of energy and momentum in the classical theory of radiating electrons has been a challenging problem since its inception. We propose a formulation of classical electrodynamics in Hamiltonian form that satisfies the Maxwell…
We present a symmetry-based calculation of the electronic structure of a compound semiconductor quantum dot (QD) in the sp^3s* tight-binding model including the spin-orbit interaction. The Hamiltonian matrix is diagonalized exactly for CdTe…
First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding…
We show anisotropy of the dipole interaction between magnetic atoms or polar molecules can stabilize new quantum phases in an optical lattice. Using a well controlled numerical method based on the tensor network algorithm, we calculate…
We develop a non-perturbative numerical method to study tunneling of a single electron through an Aharonov-Bohm ring where several strongly interacting electrons are bound. Inelastic processes and spin-flip scattering are taken into…
In the limit of infinite spatial dimensions a thermodynamically consistent theory of the strongly correlated electron systems, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built. For the Hubbard model the…