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Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra and transition rates in fourteen isotopic chains: Xe, Ba, Ce, Nd, Sm, Gd, Rn, Ra, Th, U, Pu, Cm, Cf, and Fm, are systematically analyzed using a theoretical…
By utilizing the twisted boundary conditions in the exact diagonalization method, we investigate the single-particle spectral function of the extended Peierls-Hubbard model at both half-filling and quarter filling. In one-dimensional (1D)…
Recent angle-resolved photoemission experiments in hole doped cuprates reported new and interesting high energy features which may be useful for understanding the electronic properties of these materials. Using a perturbative approach,…
We use an exact {\it holon} and {\it spinon} Landau-liquid functional which describes the holon - spinon interactions at all scattering orders, to study correlation functions of integrable multicomponent many-particle problems showing both…
We consider the one dimensional (1D) extended Hubbard model at half filling in the presence of a magnetic field. Using field theory techniques we calculate the dynamical density-density correlation function $\chi_{nn}(\omega,q)$ in the…
The topological and thermoelectric properties of (EuO)$_{n}$/(MgO)$_{m}$(001) superlattices (SLs) are explored using density functional theory calculations including a Hubbard $U$ term together with Boltzmann transport theory. In…
We calculate the spectral functions of model systems describing 5f-compounds adopting Cluster Perturbation Theory. The method allows for an accurate treatment of the short-range correlations. The calculated excitation spectra exhibit…
We consider a multiband Hubbard model $H_m$ for Cu and O orbitals in Ba$_{2-x}$Sr$_x$CuO$_{3+\delta}$ similar to the tree-band model for two-dimensional (2D) cuprates. The hopping parameters are obtained from maximally localized Wannier…
A microscopic theory for electronic spectrum of the CuO2 plane within an effective p-d Hubbard model is proposed. Dyson equation for the single-electron Green function in terms of the Hubbard operators is derived which is solved…
First principles constrained density functional theory scheme in Wannier functions formalism has been used to calculate Coulomb repulsion U and Hund's exchange J parameters for iron 3d electrons in LaFeAsO. Results strongly depend on the…
Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole…
A consistent description of low-energy charge and spin responses of the insulating Sr_2CuO_2Cl_2 lamellar system is found in the framework of a one-band Hubbard model which besides $U$ includes hoppings up to 3^{rd} nearest-neighbors. By…
We study correlation effects in a three-band extended Hubbard model of Cu -- O planes within the 1/N mean field approach, in the infinite U limit. We investigate the emerging phase diagram and discuss the low energy scales associated with…
Here the line shape of the up- and down-spin one-particle spectral functions at and in the (k,energy)-plane's vicinity of their cusp singularities is studied for the Mott-Hubbard insulator described by the 1D Hubbard model with one fermion…
A microscopic theory for electronic spectrum of the CuO2 plane within an effective p-d Hubbard model is proposed. Dyson equation for the one-electron Green function in terms of the Hubbard operators is derived which is solved…
We study the crossover from the one-dimensional to the two-dimensional Hubbard model in the photoemission spectra of weakly coupled chains. The chains with on-site repulsion are treated using the spin-charge factorized wave function, that…
We study the charge dynamic structure factor of the one-dimensional Hubbard model with finite on-site repulsion U at half filling. Numerical results from the time-dependent density matrix renormalization group are analyzed by comparison…
We have investigated the electronic states in quasi one dimensional (1D) CuO chains by microprobe Angle Resolved Photoemission Spectroscopy. We find that the quasiparticle Fermi surface consists of six disconnected segments, consistent with…
We rigorously investigated the charge-charge correlation function of the ionic Hubbard model in two dimensions by reflection positivity. We prove the existence of charge-density waves for large staggered potential $\Delta$ (i.e.,…
We analyze the generic features of the energy spectrum for two coupled CuO$_2$ layers with a realistic extended Hubbard model. The quasiparticle bands exhibit flat regions near X(Y) points in the Brillouin zone with a large reduction of the…