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Complete screening approximation

The value of the matrix element of the operator in Eq.(42) is determined principally by contributions from the regions in and around the nuclei, where both the electric field and the small component (relativistic effect) of the wavefunctions are largest. In the absence of screening Eij), the nuclear electric field diminishes with the square of the distance from the center of a nucleus screening further accelerates the decline of the electric field with distance. The electrons of each constituent atom have completely screened their nuclei at the location of any other nucleus, for which reason, and to a very good approximation, the problem is uncoupled for the various nuclear regions. [Pg.251]

Various theoretical methods (self-consistent field molecular orbital (SCF-MO) modified neglect of diatomic overlap (MNDO), complete neglect of differential overlap (CNDO/2), intermediate neglect of differential overlap/screened approximation (INDO/S), and STO-3G ab initio) have been used to calculate the electron distribution, structural parameters, dipole moments, ionization potentials, and data relating to ultraviolet (UV), nuclear magnetic resonance (NMR), nuclear quadrupole resonance (NQR), photoelectron (PE), and microwave spectra of 1,3,4-oxadiazole and its derivatives <1984CHEC(6)427, 1996CHEC-II(4)268>. [Pg.398]

The efficient screening approximation means essentially that the final state of the core, containing a hole, is a completely relaxed state relative to its immediate surround-ing In the neighbourhood of the photoemission site, the conduction electron density of charge redistributes in such a way to suit the introduction of a core in which (differently from the normal ion cores of the metal) there is one hole in a deep bound state, and one valence electron more. The effect of a deep core hole (relative to the outer electrons), may be easily described as the addition of a positive nuclear charge (as, e.g. in P-radioactive decay). Therefore, the excited core can be described as an impurity in the metal. If the normal ion core has Z nuclear charges (Z atomic number) and v outer electrons (v metallic valence) the excited core is similar to an impurity having atomic number (Z + 1) and metalhc valence (v + 1) (e.g., for La ion core in lanthanum metal, the excited core is similar to a Ce impurity). [Pg.214]

The particle interactions based on van der Waals forces between hydrophilic particles covered by a resin layer are almost completely screened. This implies that, for a discussion of the rheologically relevant interaction forces, non-DLVO effects such as polymer bridging have also to be taken into account as discussed above. For a theoretical treatment of these effects, approximations given by Napper and Vincent, respectively, can be applied [11,14]. [Pg.908]

Molecular interaction between particles and a surface depends on the thickness of the liquid layer between the contiguous bodies. Calculations show [163] that in aqueous electrolyte solutions, the molecular interaction between solids is completely screened at a distance of 10" cm between the solid bodies. At a distance of 10 cm, the molecular force is approximately half of its maximum value. For smaller distances, the molecular component of adhesion becomes greater, approaching the maximum value. [Pg.173]

What makes the neutral final state or complete screening condition approximate rather than exact is the time required for the system to respond to the core excitation (the various time scales are discussed by Gadzuk (1978)). In this work we are concerned only with the excitation energy, the threshold for absorption. Since the threshold corresponds to a long-time process (in the sense of a Fourier transform of a correlation function), the actual dynamics of complete screening will have negligible effect on the threshold energy but will affect the lineshape. [Pg.326]

One striking aspect of the osmotic pressure data is the chain length dependence of the cross-over density. The cross-over density corresponds approximately to the condition = 1. At higher concentrations. Coulomb interactions are completely screened and the osmotic pressure is that of neutral polymers. As seen in Fig. 5a and b, the simulation data compare well with the experimental results. [Pg.77]

Mouse Bioassay. When administered at 5 mg per mouse in 0.5 ml dose during the initial screening, the WSAP from G. toxicus caused death in all test mice within 120 minutes. The toxin had a latency period of approximately 30 minutes after which signs of toxicity were noticeable, and included in order of occurrance inactivity and piloerection followed by cyanosis of the tail and feet with concurrent hypothermia, vasodilation in the ears ( scarlet ears ), lacrimation, ptosis of the eye lid on the side of injection, ptosis of the abdomen (loss of muscular tone), asthenia, impairment of hind limb motor ability followed shortly by complete paralysis with the hind limbs extended posteriorly (complete prostration), and dyspnea (respiratory distress). Death occurred without convulsions and the eyes became cataracted just prior to or after death. [Pg.261]

The fulminate is precipitated in the form of greyish needles. When the reaction is complete, the reactor is allowed to stand for approximately 30 min while the contents are cooled. 1-2 1. of water are then poured in and the liquid is decanted from above the precipitated crystals. The precipitate is transferred to a cloth filter and washed with distilled water until completely free of acid. The product is then screened on a silk sieve (approximately 100 mesh/cm2) which retains the larger crystals. The smaller crystals are collected for direct use. The large ones are ground under water, passed through the same sieve and added to the previous batch. 125 parts of fulminate are obtainable from 100 parts of mercury, which corresponds to a yield of 88%. [Pg.150]


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