As electrostatic forces play a prominent role in the process of folding and binding of biological macromolecules, an examination of the method dependence of the electrostatic interaction energy is of great importance. An extensive analysis of the basis set and method dependence of electrostatic interaction energies (Ees) in molecular systems using six test dimers of α-glycine is presented. A nu...

We present a weak-relativistic limit comparison between the Kohn-Sham-Dirac equation and its approximate form containing the exchange coupling, which is used in almost all relativistic codes of density-functional theory. For these two descriptions, an exact expression of the Dirac Green’s function in terms of the nonrelativistic Green’s function is first derived and then used to calculate the e...

Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per...

The history of the investigations into interalveolar communications (pores of Kohn) shows that the question whether they exist and, if so, their nature has for approximately a century been contentious. The present electron microscopic study of the lungs of mice demonstrates that alveolar pores are normal structures, with edges composed of intact alveolar wall. A number of planes are demonstrate...

In this paper we introduce several extended versions of the classical Caffarelli—Kohn—Nirenberg inequalities. Moreover, obtain weighted higher order Rellich, Gagliardo—Nirenberg, Caffarelli—Kohn—Nirenberg, Trudinger inequalities and uncertainty principle for Dunkl operators. Furthermore, give an application Gagliardo—Nirenberg inequality to Cauchy problem nonlinear damped wave equations Laplaci...

A new species of a cucullanid nematode is described, illustrated and compared with Cucullanus brevispiculus Moravec, Kohn & Fernandes, 1993 and C. rhamphichthydis Moravec, Kohn & Fernandes, 1997, two species previously reported as parasitizing freshwater fish in South America. The new species is characterized mainly by markedly short spicules, deirids and excretory pore situated posterior to th...