نتایج جستجو برای: total electron density
تعداد نتایج: 1429870 فیلتر نتایج به سال:
The fuel cells are distinguished as generating of green allocable energy and are electrochemical devices of low environmental impact. Porous nanocrystalline strontium-doped lanthanum manganite La0.8Sr0.2MnO3 (LSM) cathode materials were prepared by mechanochemical route in various grinding times. Carbon black was employed to produce pores. The formation of LSM single phase was studied by X-ray ...
Organic–inorganic hybrid coatings were prepared by sol–gel method and deposited on aluminum alloy 6061. Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and Scanning Electron Microscopy (SEM) were used for structural study of the hybrid coatings. Adhesive strength of sol–gel coatings to the substrate was evaluated quantitatively and qualitat...
aim: aim of present study was to review the effect of eight weeks aerobic training on visfatin total cholesterol and high density lipoprotein of middle age females. materials and methods: for these purpose 30 females (mean age 48/73±9/44 y, height 156/03±5/6 cm and weight 68/37±10/57 kg) who attend in odd day’s morning sport class of hejab gymnasium of shiraz city after fill health and informed...
Density-functional theory (DFT) is based on two pivotal theorems due to Hohenberg and Kohn [1]. The first theorem states that the ground-state density ρ(r) of a system of electrons uniquely determines the Hamiltonian and hence all properties that can be derived from it. Using mathematical language we can say that the total electronic energy of the system is a functional of the electron density,
Lin proposed earlier based on qualitative considerations that electronic motion was associated with negative absolute temperature. Here, a local temperature formula is proposed for electronic motion in atoms and molecules, which allows the existence of negative absolute temperature in a local sense in thermodynamic equilibrium. The proposed temperature formula is a function of total energy dens...
In this paper, the Hartree-Fock method has been formulated to investigate some of the ground state properties of quasi-one-dimensional interacting electron gas in the presence of the magnetic field. The bare coulomb interaction between electrons has been assumed. For this system, we have also computed some of its thermodynamic and magnetic properties such as the energy, pressure, incompressibil...
We formulate the Kohn-Sham density functional theory (KS-DFT) as a statistical theory in which the electron density is determined from an average of correlated stochastic densities in a trace formula. The key idea is that it is sufficient to converge the total energy per electron to within a predefined statistical error in order to obtain reliable estimates of the electronic band structure, the...
We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFe2As2+δ using the density functional perturbation theory. We show that the magnetism enhances the total electron-phonon coupling by ∼ 50%, up to λ . 0.35, still not enough to explain the high critical temperature, but strong enough to have a non-negligible effect on superconductivity, for instance, by frustr...
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