Localization-interaction model

The metallic state in PPV-H2SO4 (o- 10000 S/cm, crystalline fraction roughly 70%, crystalline coherence length roughly 80 A) can be described [13,15] by the localization-interaction model ... 

Localization interaction model, 16-2 Localization length (Lc), 15-8, 15-20-15-21 Localization modified Drude model, 15-22-15-24,... 

In PPV-H2SO4 samples, too, the low-temperature conductivity of metallic samples, in both the parallel and the perpendicular directions to the chain axis, can be fitted to Eq. (3.2) [1134, 1135]. At temperatures below 4 K, however, the lit is rather good, even in the presence of a magnetic field, as shown in earlier works. Hence, in metallic PPV samples, the localization-interaction model is valid at low temperatures, as observed in the case of metallic (CH)i samples. Moreover, the MC data in both systems are consistent with the localization-interaction model, as explained later. Although the anisotropy of conductivity in metal-licMriented (CH) and PPV samples is nearly 100, the o( 7) is... 

It is well known that magnetoconductance (MC) is a sensitive local probe for investigating the microscopic transport parameters (e.g., scattering process, relaxation mechanism, etc.) in metallic and semiconducting systems [2]. The quantitative level of understanding of MC for disordered systems by using the localization-interaction model is rather useful for checking the appropriateness... 

J. J. Luque, F. Jimenez-Morales, M. C. Lemos. Monte Carlo simulation of a surface reaction model with local interaction. J Chem Phys 96 8535-8538, 1992. 

LGs can also serve as powerful alternatives to PDEs themselves in modeling physical systems. The distinction is an important one. It must be remembered, however, that not all PDEs (and perhaps not all physical systems see chapter 12) are amenable to a LG simulation. Moreover, even if a candidate PDE is selected for simulation by a LG. there is no currently known cookbook recipe allowing a researcher to go from the PDE to a LG description (or vice versa). Nonetheless, by their very nature, LGs lend themselves to modeling any partial differential equation (PDE) for which the underlying physical basis for its construction involves a large number of particles with local interactions [wolf86c]. 

The Rouse model, as given by the system of Eq, (21), describes the dynamics of a connected body displaying local interactions. In the Zimm model, on the other hand, the interactions among the segments are delocalized due to the inclusion of long range hydrodynamic effects. For this reason, the solution of the system of coupled equations and its transformation into normal mode coordinates are much more laborious than with the Rouse model. In order to uncouple the system of matrix equations, Zimm replaced S2U by its average over the equilibrium distribution function ... 

This example shows that dipolar interactions can produce unexpected effects in systems containing polynuclear clusters, so that their complete quantitative description requires a model in which the dipolar interactions between all the paramagnetic sites of the system are explicitly taken into account. Local spin models of this kind can provide a description of the relative arrangement of the interacting centers at atomic resolution and have been worked out for systems containing [2Fe-2S] and [4Fe-4S] clusters (112, 192). In the latter case, an additional complication arises due to the delocalized character of the [Fe(III), Fe(II)] mixed-valence pair, so that the magnetic moments carried by the two sites A and B of Fig. 8B must be written... 

QWASI, the Quantitative Water, Air Sediment Interaction model by Mackay et al. [14] is a fugacity III model (Version 3.10, 2007) and it describes the fate of chemicals in aquatic systems, depending on direct discharge, inflow in rivers, and atmospheric deposition. Hence, this model addresses the local scale, as does the 2-FUN Tool. 

Many of the conformational properties of peptide systems, including protein conformation, can be approximated in terms of the local interactions encountered in dipeptides, where the two torsional angles 4> (N-C(a)) and < i (C(a)-C ) are the main conformational variables. N-acetyl N -methyl alanine amide, shown in Fig. 7.11, is a model dipeptide that has been the subject of numerous computational studies. 

Use cases, actions, and collaborations abstract the interactions among a group of objects above the level of an individual OOP message send. These interaction models let you separate abstract multiparty behaviors, joint or localized responsibilities, and actual interfaces and interaction protocols. 

Starting from the normal mode approximation, one can introduce anharmonicity in different ways. Anharmonic perturbation theory [206] and local mode models [204] may be useful in some cases, where anharmonic effects are small or mostly diagonal. Vibrational self-consistent-field and configuration-interaction treatments [207, 208] can also be powerful and offer a hierarchy of approximation levels. Even more rigorous multidimensional treatments include variational calculations [209], diffusion quantum Monte Carlo, and time-dependent Hartree approaches [210]. 

The localized-electron model or the ligand-field approach is essentially the same as the Heitler-London theory for the hydrogen molecule. The model assumes that a crystal is composed of an assembly of independent ions fixed at their lattice sites and that overlap of atomic orbitals is small. When interatomic interactions are weak, intraatomic exchange (Hund s rule splitting) and electron-phonon interactions favour the localized behaviour of electrons. This increases the relaxation time of a charge carrier from about 10 s in an ordinary metal to 10 s, which is the order of time required for a lattice vibration in a polar crystal. 

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