Zobrazeno 1 - 6
of 6
pro vyhledávání: '"O. A. Gorkusha"'
Autor:
V. G. Zavodinskii, O. A. Gorkusha
Publikováno v:
Physics of the Solid State. 61:2520-2524
The electronic structure and the total energy of Ti2AlC, Ti2AlN, Ti2SiC, and Ti2SiN compounds have been explored by the methods of the density functional theory and pseudopotentials. Density curves of electronic states for the crystal systems and for
Autor:
O. A. Gorkusha, V. G. Zavodinsky
Publikováno v:
Computational Mathematics and Mathematical Physics. 59:313-321
A numerical method for finding the potential of a multiatomic system in the real space is proposed. A distinctive feature of this method is the decomposition of the electron density $$\rho $$ and the potential $$\varphi $$ into two parts $$\rho = {{\
Autor:
O A Gorkusha, V. G. Zavodinsky
Publikováno v:
Nanosystems: Physics, Chemistry, Mathematics. :1010-1016
The key problem of the orbital-free approach is calculation of kinetic energy, especially for hetero-atomic systems. In this work, we used the mono-atomic functionals of kinetic energy to construct the kinetic functionals of complicated systems. We c
Autor:
O. A. Gorkusha, V. G. Zavodinsky
Publikováno v:
Water Resources. 43:73-78
The formation of bends (meanders) can be described by a simple physical model, according to which, water flow in a gentle valley with gentle slopes, once deflected by a random obstacle, starts oscillating from one slope to another, while keeping movi
Autor:
V. G. Zavodinsky, O. A. Gorkusha
Publikováno v:
Physics of the Solid State. 56:2329-2335
It has been shown that the variational principle can be used as the practical way to find the electron density and the total energy in terms of the density functional theory without solving the Kohn-Sham equations (the so-called orbital-free approach
Autor:
O. A. Gorkusha
Publikováno v:
Mathematical Notes. 69:320-328