相关论文: Static dielectric function with exact exchange con…
An iterative method for calculating the polar component of the solvation Gibbs energy under a smooth change in dielectric permittivity, both between a substrate and a solvent and in a solvent is formulated on the basis of a previously…
The average persistent current <I> of diffusive electrons in the Hartree-Fock approximation is derived in a simple non-diagrammatic picture. The Fourier expansion directly reflects the winding number decomposition of the diffusive motion…
We consider the advection-diffusion equation \[ \phi_t + Au \cdot \nabla \phi = \Delta \phi, \qquad \phi(0,x)=\phi_0(x) \] on $\bbR^2$, with $u$ a periodic incompressible flow and $A\gg 1$ its amplitude. We provide a sharp characterization…
It is long known that the Fokker-Planck equation with prescribed constant coefficients of diffusion and linear friction describes the ensemble average of the stochastic evolutions in velocity space of a Brownian test particle immersed in a…
A small amplitude perturbation analysis is developed to describe the effect of a uniform electric field on the dynamics of a lipid bilayer vesicle in a simple shear flow. All media are treated as leaky dielectrics and fluid motion is…
An exact integral formula for the Kirkwood correlation factor of isotropic polar fluids $g_K$ is derived from the equilibrium averaged rotational Dean equation, which as compared to previous approaches easily lends itself to further…
In view of the vital role of water in chemical and physical processes, an exact knowledge of its dielectric function over a large frequency range is important. In this article we report on currently available measurements of the dielectric…
The Kondo-Heisenberg model is used for a microscopic demonstration of existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. I use a…
The momentum distribution $n_k$ of itinerant electrons in the one-dimensional Falicov-Kimball model is calculated for various ground-state phases. In particular, we examine the periodic phases with period two, three and four (that are…
Simple application of the Einstein model combined with the elastic description of solid state is developed. The frequency of quantum oscillators has been assumed as volume dependent and, furthermore, elastic energy terms of static character…
On the basis of the exact relations the general formula for the static dielectric permittivity e(q,0) for Coulomb system is found in the region of small wave vectors q. The obtained formuladescribes the dielectric function e(q,0) of the…
In this article we study the numerical approximation of a variable coefficient fractional diffusion equation. Using a change of variable, the variable coefficient fractional diffusion equation is transformed into a constant coefficient…
The goal of this work is to propose a simple continuous model that captures the dielectric properties of water at the nanometric scale. We write an electrostatic energy as a functional of the polarisation field containing a term in $P^4$…
(Screened) hybrid functionals are being used more and more for solid-state calculations. Usually the fraction alpha of Hartree-Fock exchange is kept fixed during the calculation, however there is no single (universal) value for alpha which…
Coherent scattering of an electron beam by the Kapitza-Dirac effect from a standing laser wave which comprises two frequency components is studied. To this end, the Schr\"odinger equation is solved numerically with a suitable ponderomotive…
We present the first quasi-exact \textit{ab initio} path integral Monte Carlo (PIMC) results for the dynamic local field correction $\widetilde{G}(\mathbf{q},z_l;r_s,\Theta)$ in the imaginary Matsubara frequency domain, focusing on the…
We present a generalization of the representation in plane waves of Dirac delta, $\delta(x)=(1/2\pi)\int_{-\infty}^\infty e^{-ikx}\,dk$, namely $\delta(x)=(2-q)/(2\pi)\int_{-\infty}^\infty e_q^{-ikx}\,dk$, using the…
X-ray powder diffraction (XRD) along with differential thermal analysis (DTA) carried out on the as-quenched samples in the 3BaO-3TiO2-B2O3 system confirmed their amorphous and glassy nature, respectively. The dielectric constants in the 1…
The fluid-solid-electric dynamics of a flexible plate covered by interconnected piezoelectric patches in an axial steady flow are investigated using numerical simulations based on a reduced-order model of the fluid loading for slender…
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been…