The density for all metals can be calculated very easily, while the electron density has been calculated by Lang only for the integer values of r s (Wigner-Seitz radius) in range (2–6). The results have been compared with a similar work of Szeifert. The calculated results approximate the...
Experimental charge density modeling of a magnesium dimer complex and subsequent topological analysis reveals the existence of a chemical bond between the two central Mg atoms. Analysis of the molecular system using the energy density, the source function, and several density profiles along the entire...
Modeling of electron mobility in gated silicon nanowires at room temperature: Surface roughness scattering, dielectric screening, and band nonparabolicity We present a theoretical study of electron mobility in cylindrical gated silicon nanowires at 300 K based on the Kubo-Greenwood formula and the self...
though the full details on this are not available in the studies. Comparing the bulk densities to the particle densities, the low ratio is indicative of a porous material. This is further corroborated by scanning electron microscope (SEM) analysis of thematerial microstructure, covered later in th...
The exchangecurrent density(i0) responds to the intrinsic efficiencyof electron transferat the electrode/electrolyte interface[85]. The higher theexchange current density, the higher the catalytic activity. The exchange current is equal to the current at zero overpotential (marked asj0). The exchange...
Novel bromine oxyfluorides: structures, thermochemistry and electron affinities of BrOF n /BrO ( n =1–5) Four selected density functional theory (DFT) and hybrid Hartree-Fock/DFT methods have been used to carry out an investigation of the molecular structures,... Liangfa Gong,Qianshu Li *...
Here we innovatively apply it to high-pressure studies up to 4.2 GPa of the mineral hsianghualite. With external pressure, electron density redistributes inside ions and among them. For most ions, their volume decreases; however, for silicon volume increases. With growing pressure, we observed ...
Unexpectedly large difference of the electron density at the nucleus in the Formula Not Shown fine-structure doublet of Ca Formula Not Shown O. Schmidt (2017), "Unexpectedly large difference of the electron density at the nucleus in the 4p 2P1/2,3/2 fine-structure doublet of Ca+," Appl...
Analytical electron microscopy of silver halide photographic systems V.P.Oleshko, ...W.A.Jacob, inMicron, 2000 Numeric simulations of apercolationnetwork of Ag filaments with a hexagonal lattice at various probabilities of a site occupation: (a) an early stage of the reduction,p=0.2. An initi...
Quantum Entanglement in Photon-Induced Electron Spectroscopy of Atoms and Molecules N. Chandra, S. Parida, in Advances in Imaging and Electron Physics, 2016 Coulombic Density Matrix for the Two-Step Radiative Process Taking the conditions (44) and (45), along with the definition (46), into acc...