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Transfer three-body

Fig. 4.6 VDOS of silica glass from a Huang and Kieffer s charge-transfer three-body potential, b Neutron scattering experiments [65]... Fig. 4.6 VDOS of silica glass from a Huang and Kieffer s charge-transfer three-body potential, b Neutron scattering experiments [65]...
In Eq. (3.4), the contributions of both the nuclei and the electrons are considered. The maximum energy transfer for electrons is (l/4)mv2, but since their contribution to the loss cross section is small, no great error is committed in taking the maximum energy transfer as 2mv2 for all ionizations represented in Eq. (3.4). Electron capture is a three-body process best visualized as ionization of a molecule of the medium with the ejected electron having a speed v at least equal to that of the incident ion, followed by capture of that electron in an orbit around the impinging ion. Mozumder et al. (1968) modified an earlier formula of Bohr (1948) and wrote the capture cross section as... [Pg.60]

The SMO-LMBPT method conveniently uses the transferability of the intracorrelated (one-body) parts of the monomers. This holds, according to our previous results [3-10], at the second (MP2), third (MP3) and fourth (MP4) level of correlation, respectively. The two-body terms (both dispersion and charge-transfer components) have also been already discussed for several systems [3-5]. A transferable property of the two-body interaction energy is valid in the studied He- and Ne-clusters, too [6]. In this work we focus also on the three-body effects which can be calculated in a rather straightforward way using the SMO-LMBPT formalism. [Pg.239]

The A scp term is calculated using the standard CP-method. At the correlated MP2 level, we have shown for several systems [7-10], that the AE terms are usually and systematically smaller than the dominant ( )+ Ecj) terms. The sum of these two terms provides a good approximation to the total interaction energy at the correlated level. It is important to emphasize that the AE values were obtained by making the difference with the values of the CP-corrected subsystems i.e. taking into consideration the "benefit effect" of the superposition of the basis set [3, 6]. As the charge-transfer components are of importance in the two-body interaction, (see a discussion in ref. 10), we will also investigate them separately for the three-body terms in the studied systems. [Pg.239]

In order to have an insight into the three-body effect,we continue the study of the He-clusters. Fortunately, there are published examples for several He-clusters, as cited above. All of these studies, however, were performed in the canonical representation. The use of the localized representation allows us to separate the dispersion and the charge transfer components of the interaction energy for the three-body effects as it was similarly done for the two-body effects. The calculation of the interaction energy in the SMO-LMBPT fiumework has been discussed in detail in several papers [8-10] The formulae given at the correlated level, however, were restricted to the two-body interaction. [Pg.240]

Table VI. Charge transfer contributions to the three-body interaction energy at the MP3 and MP4 correlated levels for the studied He-clusters (in jiH, see Figure I. for notations, numbering of atoms are given from left to right))... Table VI. Charge transfer contributions to the three-body interaction energy at the MP3 and MP4 correlated levels for the studied He-clusters (in jiH, see Figure I. for notations, numbering of atoms are given from left to right))...
A. Dupays, B. Lepetit, J.A. Beswick, C. Rizzo, D. Bakalov, Nonzero total-angular-momentum three-body dynamics using hyperspherical elliptic coordinates Application to muon transfer from muonic hydrogen to atomic oxygen and neon, Phys. Rev. A 69 (2004) 062501. [Pg.242]

A. Igarashi, N. Toshima, Three-body muon-transfer collisions from hydrogen isotope to He2+ and Li3+ ions, Eur. Phys. J. D 40 (2006) 175. [Pg.243]

In direct gap GaAs, an excited electron at the bottom of the conduction band can relax spontaneously back into a hole in the valence band by emitting a photon at the band gap energy. This electron-hole radiative recombination process can only occur in Si if momentum is conserved, i.e., the excited electron wave vector must be reduced to zero. This, in pure Si, occurs via the transfer of momentum to a phonon that is created with equal and opposite wave vector to that of the initial state in the conduction band. Such a three-body process is quite inefficient compared with direct gap recombination.1218 This is why Si is such a poor light emitter. [Pg.99]

Thus the only way to make a complex is to transfer some of the internal energy to another system. In practice, this means three or more molecules have to all be close enough to interact at the same time. The mean distance between molecules is approximately (V/N)1 /3 (the quantity V/N is the amount of space available for each molecule, and the cube root gives us an average dimension of this space). At STP 6.02 x 1023 gas molecules occupy 22.4 L (.0224 m3) so (V/N)1/3 is 3.7 nm—on the order of 10 molecular diameters. This is expected because the density of a gas at STP is typically a factor of 103 less than the density of a liquid or solid. So three-body collisions are rare. In addition, if the well depth V (rmin) is not much greater than the average kinetic en-... [Pg.165]

Atmospheric pressure plasmas, just like most other plasmas, are generated by a high electric field in a gas volume. The few free electrons which are always present in the gas, due to, for example, cosmic radiation or radioactive decay of certain isotopes, will, after a critical electric field strength has been exceeded, develop an avalanche with ionization and excitation of species. Energy gained by the hot electrons is efficiently transferred and used in the excitation and dissociation of gas molecules. In a nonequilibrium atmospheric pressure plasma, collisions and radiative processes are dominated by energy transfer by stepwise processes and three-body collisions. The dominance of these processes has allowed many... [Pg.41]

One can determine the number of cation dopants associated with a given defect structure by measuring the two body energy transfer rates between probe ions, the efficiency of three body up-conversion, and the effect of adding a second dopant ion in higher concentration on the splittings of the first dopant ion. [Pg.146]

If a proton-transfer reaction is visualized as a three-body process (Bell, 1959b), a linear free energy relationship is predicted between the acid dissociation constant, Aha, and the catalytic coefficient for the proton-transfer reaction, HA. Figure I shows the relationships between ground-state energies and transition-state energies. This is a particular case of the Bronsted Catalysis Law (Bronsted and Pedersen, 1924) shown in equation (9). The quantities p and q are, respectively, the number of... [Pg.67]

More recent classical calculations of T-R transfer include the work of Raff [46], Brau and Jonkman [47], and that of Benson and Berend [48, 49]. Raff examined specifically the cases of (H2, He) and (D2, He) collisions. He employed an accurate interaction potential due to Krauss and Mies [50] and a three body Monte Carlo calculation. Order-of-magnitude agreement with experiment was obtained. [Pg.188]

There are two fundamentally different ways in which the reservoir of transfer lubricant can be located. It can be a part of, or the whole of, one of the normal load-bearing machine components, and this has been variously described as direct, primary, or two-body transfer lubrication. Alternatively it can be a separate auxiliary component present only to provide a lubrication reservoir, whose sole function is to transfer lubricant to one of the other machine components. This has been described as indirect, secondary, or three-body transfer lubrication. In the Russian literature the latter is called "Rotaprint Lubrication" by analogy with the use of a separate inking roller to transfer ink to the cylinder in a rotary printing press ° ° ° . [Pg.120]

The metal atoms of the neutral metal layers are subject to charge transfer ionization by the principal molecular ions of the ionospheric E-region, NO+ and 02" . The highly stable atomic metal ions are either transported to higher altitudes, where they can undergo electron-ion recombination, or they can be removed by three-body association reactions with atmospheric molecules at lower altitudes, such as N2 ... [Pg.279]


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