A Kadanoff-Baym-type generating functional approach, earlier developed by the authors to strongly correlated systems, is applied to the sd-model with strong sd-coupling. Formalism of the Hubbard X -operators was used, and ...

A perturbation theory modification of the Flory-Huggins polymer solution theory is presented. The proposed perturbation equation utilizes the results by Tukur et al [J. Chem. Phys. 110 (7), 3463, 1999] for hard-sphere binary ...

The distribution of charge within polyatomic ions determined in ab initio quantum chemical calculations is used to describe the solution chemistry of these species in more detail. Two examples are considered in this ...

The density functional and modified Poisson-Boltzmann descriptions of a spherical (electric) double layer are compared and contrasted vis-a-vis existing Monte Carlo simulation data (for small ion diameter 4.25 · 10⁻¹⁰ ...

We study the purely relaxational critical dynamics with non-conserved order parameter (model A critical dynamics) for three-dimensional magnets with disorder in a form of the random anisotropy axis. For the random ...

A systematic Monte Carlo (MC) simulation and perturbation theoretical (PT) study is reported for the dielectric constant of the polarizable dipolar hard sphere (PDHS) fluid. We take the polarizability of the molecules ...

One-dimensional quantum spin- 1/2 XY models admit the rigorous analysis not only of their static properties (i.e. the thermodynamic quantities and the equal-time spin correlation functions) but also of their dynamic ...

The electronic structure, magnetism as well as the excited-state properties such as the optical and x-ray magnetic circular dichroism (XMCD) spectra of the Heusler alloys Co₂TiSn and Co₂ZrSn were investigated theoretically from ...

Here two methods for calculating the density of states of electrons in conduction band of disordered metals are investigated. The first one is based on the usage of one-parameter trial electron wave function. The ...