Related papers: Exact exchange-correlation potential of a ionic Hu…
We employ the dynamical mean field approximation to study the effects of ionic potential ($\Delta$) on the square lattice Hubbard model. At half-filling when the staggered potential ($\Delta$) dominates the on-site Hubbard interaction…
The frequency-dependent exchange-correlation potential, which appears in the usual Kohn-Sham formulation of a time-dependent linear response problem, is a strongly nonlocal functional of the density, so that a consistent local density…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
Using a Markov chain approach we rederive the exact density functional for hard rod mixtures on a one-dimensional lattice, which forms the basis of the lattice fundamental measure theory. The transition probability in the Markov chain…
Universal properties of the Coulomb interaction energy apply to all many-electron systems. Bounds on the exchange-correlation energy, inparticular, are important for the construction of improved density functionals. Here we investigate one…
Density scaling has a rich history in density functional theory, providing exact conditions for use in the construction of ever more accurate approximations to the unknown exchange-correlation functional. We define a conjugate potential…
In the paper the thermodynamics of a cubic cluster with 8 sites at quarter filling is characterized by means of exact diagonalization technique. Particular emphasis is put on the behaviour of such response functions as specific heat and…
The exact exchange-correlation (xc) kernel $f_\mathrm{xc}(x,x',\omega)$ of linear response time-dependent density functional theory is computed over a wide range of frequencies, for three canonical one-dimensional finite systems. Methods…
We present a detailed study of different exchange-correlation (xc) functionals in describing the dynamical properties of finite systems. For that purpose, we calculated the static polarizabilities, ionization potentials and optical…
Electron instabilities in the Hubbard model with the next nearest neighbor coupling are calculated by exact diagonalization in finite, two-dimensional Betts cells (lattices). A viable spin and charge coherent pairing, signaled by quantum…
Dynamics of ionic-to-neutral and neutral-to-ionic phase transitions induced by intrachain charge-transfer photoexcitations are studied in a quasi-one-dimensional extended Hubbard model with alternating potentials and an electron-lattice…
The Hubbard model is a paradigmatic model of strongly correlated quantum matter, thus making it desirable to investigate with quantum simulators such as ultracold atomic gases. Here, we consider the problem of two atoms interacting in a…
The State--Specific Kohn--Sham Density Functional Theory [arXiv:physics/0506037] is used to derive the Kohn-Sham exchange-correlation potential $\vxc$ and exchange-correlation energy $\Eco$ as explicit functionals of $v_s$ and $\phi_1$,…
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem…
We provide a tight-binding model of insulator, for which we derive an exact analytic form of the one-body density matrix and its large-distance asymptotics in dimensions $D=1,2$. The system is built out of a band of single-particle orbitals…
We investigate tunneling properties of a bound pair of Fermi atoms in an optical lattice, comparing with results obtained in an attractive Hubbard model. In the strong coupling regime of the Hubbard model, it has been predicted that the…
A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…
The Exact-Exchange (EXX) Kohn-Sham formalism, which treats exchange interactions exactly within density-functional theory, is applied to one-dimensional periodic systems. The underlying implementation does not rely on specific symmetries of…
By exploiting the technique of Sutherland's species, introduced in \cite{DOMO-RC}, we derive the exact spectrum and partition function of a 1D extended Hubbard model. The model describes a competition between dynamics of single carriers and…
In spin-density-functional theory (SDFT) for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The significance of the xc magnetic fields is not very well…