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Anisotropic perturbation

The decomposition of the anisotropic perturbative potential 4>p (7) into its isotropic and anisotropic part suits as an excellent method to include this potential into the formalism. By [14] the separation of the isotropic part weighted averaging s(ri2) = (< p(ri2, Consequently, the molecular DFT approach regards the... [Pg.102]

The kinetics of the x peak are the most interesting, because there seems to be a clear difference between the values for chi a in vitro, for the D1/D2, and for the other PSn preparations. This could indicate a considerable anisotropic perturbation of P680,in the isolated PSII rc, so that it appears more monomeric However another possible explanation is that previous measurements of kx gave too high values due to its extreme sensitivity to microwave power. [Pg.422]

Another important application of perturbation theory is to molecules with anisotropic interactions. Examples are dipolar hard spheres, in which the anisotropy is due to the polarity of tlie molecule, and liquid crystals in which the anisotropy is due also to the shape of the molecules. The use of an anisotropic reference system is more natural in accounting for molecular shape, but presents difficulties. Hence, we will consider only... [Pg.509]

The shock-compression pulse carries a solid into a state of homogeneous, isotropic compression whose properties can be described in terms of perfect-crystal lattices in thermodynamic equilibrium. Influences of anisotropic stress on solid materials behaviors can be treated as a perturbation to the isotropic equilibrium state. ... [Pg.6]

One possibility for this was demonstrated in Chapter 3. If impact theory is still valid in a moderately dense fluid where non-model stochastic perturbation theory has been already found applicable, then evidently the continuation of the theory to liquid densities is justified. This simplest opportunity of unified description of nitrogen isotropic Q-branch from rarefied gas to liquid is validated due to the small enough frequency scale of rotation-vibration interaction. The frequency scales corresponding to IR and anisotropic Raman spectra are much larger. So the common applicability region for perturbation and impact theories hardly exists. The analysis of numerous experimental data proves that in simple (non-associated) systems there are three different scenarios of linear rotator spectral transformation. The IR spectrum in rarefied gas is a P-R doublet with either resolved or unresolved rotational structure. In the process of condensation the following may happen. [Pg.224]

It is now well-established that for atomic fluids, far from the critical point, the atomic organisation is dictated by the repulsive forces while the longer range attractive forces serve to maintain the high density [34]. The investigation of systems of hard spheres can therefore be used as simple models for atomic systems they also serve as a basis for a thermodynamic perturbation analysis to introduce the attractive forces in a van der Waals-like approach [35]. In consequence it is to be expected that the anisotropic repulsive forces would be responsible for the structure of liquid crystal phases and numerous simulation studies of hard objects have been undertaken to explore this possibility [36]. [Pg.80]

When a strong static electric field is applied across a medium, its dielectric and optical properties become anisotropic. When a low frequency analyzing electric field is used to probe the anisotropy, it is called the nonlinear dielectric effect (NLDE) or dielectric saturation (17). It is the low frequency analogue of the Kerr effect. The interactions which cause the NLDE are similar to those of EFLS. For a single flexible polar molecule, the external field will influence the molecule in two ways firstly, it will interact with the total dipole moment and orient it, secondly, it will perturb the equilibrium conformation of the molecule to favor the conformations with the larger dipole moment. Thus, the orientation by the field will cause a decrease while the polarization of the molecule will cause an... [Pg.239]

The choice of method depends on the system to be investigated. The methods of intermolecular quenching and intermolecular excimer formation are not recommended for probing fluidity of microheterogeneous media because of possible perturbation of the translational diffusion process. The methods of intramolecular excimer formation and molecular rotors are convenient and rapid, but the time-resolved fluorescence polarization technique provides much more detailed information, including the order of an anisotropic medium. [Pg.245]

The perturber P also may function by influencing rotational or conformational dispositions of an R substituent so as to change its spectral properties or those of other solute nuclei by changing their intramolecular relationship to anisotropic groups. [Pg.280]

Besides the remarkable directionality of the motion, the images also demonstrate a periodic variation of the cluster from an elongated to a circular shape (Fig. 39). The diagrams in Fig. 39 depict the time dependence of the displacement and the cluster size. Until the cluster was finally trapped, the speed remained fairly constant as can be seen from the constant slope in Fig. 39 a. The oscillatory variation of the cluster shape is shown in Fig. 39b. Although a coarse model for the motion has been presented in Fig. 39, the actual cause of the motion remains unknown. The ratchet model proposed by J. Frost requires a non-equiUb-rium variation in the energetic potential to bias the Brownian motion of a molecule or particle under anisotropic boundary conditions [177]. Such local perturbations of the molecular structure are believed to be caused by the mechanical contact with the scaiming tip. A detailed and systematic study of this question is still in progress. [Pg.170]

Hd describes the direct magnetic dipolar interactions that occur through-space between a spin-pair. This interaction is also anisotropic and the strength of this perturbation is given in Hz by where 7 71, is the product of the... [Pg.439]

Our goal is the study of reactive flows through slit channels in the regime of Taylor dispersion-mediated mixing and in this chapter we will develop new effective models using the technique of anisotropic singular perturbations. [Pg.3]

Recent approach using the anisotropic singular perturbation is the article by Mikelic et al. (2006). This approach gives the error estimate for the approximation and, consequently, the rigorous justification of the proposed effective models. It uses the strategy introduced by Rubinstein and Mauri (1986) for obtaining the effective models. [Pg.4]

In the article Balakotaiah and Chang (1995) the surface reactions are much faster and do not correspond to our problem. In order to compare two approaches we will present in the paragraph from Section 3.4 computations with our technique for the timescale chosen in Balakotaiah and Chang (1995) and we will see that one gets identical results. This shows that our approach through the anisotropic singular perturbation reproduces exactly the results obtained using the center manifold technique. [Pg.8]


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See also in sourсe #XX -- [ Pg.280 ]




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