Charge density average

The success of such a well-estabhshed representation is obtained in spite of the fact that structural formulae do not even allow a proper visualization of the actual (van der Waals) shapes of the molecules. These are represented by envelopes of constant electronic charge density averaged over thermal motions of the nuclei, as given experimentally by X-ray and electron ]... 

The electronic charge density is responsible for scattering the X-rays in a crystal structure determination, a determination made possible by the charge density exhibiting its maximum values at the positions of the nuclei. Such experiments can be used to determine the charge density, averaged over the thermal motions of the nuclei. Rather than a... 

The model used is the RPM. The average electrostatic potential ifr) at a distance r away from an ion / is related to tire charge density p.(r) by Poisson s equation... 

The most elementary mean-field models of electronic structure introduce a potential that an electron at r would experience if it were interacting with a spatially averaged electrostatic charge density arising from the N- 1 remaining electrons ... 

The average space charge density (per unit volume) becomes... 

Average axial spacing in A between charged groups on the polyion b Charge density parameter calculated from Eq. 5 using the dielectric constant of bulk water (e = 78)... 

In the second group of models, the pc surface consists only of very small crystallites with a linear parameter y, whose sizes are comparable with the electrical double-layer parameters, i.e., with the effective Debye screening length in the bulk of the diffuse layer near the face j.262,263 In the case of such electrodes, inner layers at different monocrystalline areas are considered to be independent, but the diffuse layer is common for the entire surface of a pc electrode and depends on the average charge density <7pc = R ZjOjOj [Fig. 10(b)]. The capacitance Cj al is obtained by the equation... 

P 66] No details of the electrical field are given in [65] other than mentioning the average charge densities. These amoimt for two experiments to 1 and 5 A m. ... 

The most important parameters of the ionic atmosphere are the charge density Qv r) and the electrostatic potential /(r) at the various points. Each of these parameters is understood as the time-average value. These values depend only on distance r from the central ion, not on a direction in space. For such a system it is convenient to use a polar (spherical) coordinate system having its origin at the point where the central ion is located then each point can be described by a single and unique coordinate, r. 

Au-Cu and Au-Ag alloys Isomer shift and electrical resistivity as function of alloy composition and, in CU3AU, of pressure model to describe 5 in terms of average atomic volume, of short-range parameter and alloy composition average charge density on Au... 

Figure 4.6 Left STM image of a stoichiometric 1 x 1 Ti02(l 1 0) surface, 14A x 14 A. Sample bias + 1.6 V, tunneling current 0.38 nA. The inset shows a ball-and-stick model of the unrelaxed 1 x 1 Ti02(l 1 0) surface. Rows of bridging oxygen atoms are labeled A and rows of fivefold coordinated titaniums B . Right contour plots of [0 1 l]-averaged charge densities associated with electron states within...

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