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Large component definition

Hence, = I + 1 if k > 0 and = I — 1 if k < 0. Consequently, in the Dirac-Pauli representation and have definite parity, (—1) and (—1) respectively. It is customary in atomic physics to assign the orbital angular momentum label I to the state fnkm.j- Then, we have states lsi/2, 2si/2) 2ri/2, 2p3/2, , if the large component orbital angular momentum quantum numbers are, respectively, 0,0,1, ,... while the corresponding small components are eigenfunctions of to the eigenvalues 1,1,0,2,. [Pg.220]

Here, Q%g> i is the orbital dependent expression (76), which was introduced for the calculation of matrix elements. If spin polarization is present, we again use the approximation for the large components, equation (82). The overlap densities have valence-valence and core-valence contributions. Corecore contributions to the overlap densities do not appear, since, by definition, core states between different sites have no overlap. [Pg.754]

Amioon D125 F 3/ Emerson Cuming Large-component bonding (SOT, MELF, PLCC44, and SOIC) and excellent print definition very low moisture absorption 550,000-650,000/10 250-300 Dome NA... [Pg.218]

I aS - bd / 2 combination will always correspond to the lowest (b) exact state, which dissociates into ground-state atoms. The ground state has very large components in the model space, on neutral determinants only for large interatomic distances, and on neutral and ionic valence determinants at short interatomic distances. The two lowest eigenstates of H2 should definitely belong to the target space. [Pg.368]

In the absence of other external fields, V is totally symmetric under the operations of the molecular symmetry group because it defines the symmetry group. 2c and E are numbers, which by definition are totally symmetric. B and its inverse are therefore totally symmetric. Moreover, the equation involving only the large component, above tells us that the operator (a-p) (totally symmetric, because... [Pg.158]

This is a valid definition, as it only requires that the small component be integrable, which is certainly the case sinee must be square integrable in order to normalize the Dirac wave function. The pseudo-large component now has the same symmetry properties as the large component. The nonrelativistic limit of the pseudo-large component is the large component, since... [Pg.279]

This is a valid procedure for E > —2mc because is negative definite and T is positive definite. Substituting into the first line of (19.3), we get an equation for the large-component coefficient vector,... [Pg.382]

Most distillation systems ia commercial columns have Murphree plate efficiencies of 70% or higher. Lower efficiencies are found under system conditions of a high slope of the equiHbrium curve (Fig. lb), of high Hquid viscosity, and of large molecules having characteristically low diffusion coefficients. FiaaHy, most experimental efficiencies have been for biaary systems where by definition the efficiency of one component is equal to that of the other component. For multicomponent systems it is possible for each component to have a different efficiency. Practice has been to use a pseudo-biaary approach involving the two key components. However, a theory for multicomponent efficiency prediction has been developed (66,67) and is amenable to computational analysis. [Pg.170]

Colloidal suspensions are, per definition, mixtures of mesoscopic particles and atomic liquids. What happens if there are several different species of particles mixed in the solvent One can invent several different sorts of mixtures small and large particles, differently charged ones, short and long rods, spheres and rods, and many more. Let us look into the literature. One important question when dealing with systems with several components is whether the species can be mixed or whether there exists a miscibility gap where the components macroscopically phase-separate. [Pg.755]

Note that the lipophilicity parameter log P is defined as a decimal logarithm. The parabolic equation is only non-linear in the variable log P, but is linear in the coefficients. Hence, it can be solved by multiple linear regression (see Section 10.8). The bilinear equation, however, is non-linear in both the variable P and the coefficients, and can only be solved by means of non-linear regression techniques (see Chapter 11). It is approximately linear with a positive slope (/ ,) for small values of log P, while it is also approximately linear with a negative slope b + b for large values of log P. The term bilinear is used in this context to indicate that the QSAR model can be resolved into two linear relations for small and for large values of P, respectively. This definition differs from the one which has been introduced in the context of principal components analysis in Chapter 17. [Pg.390]

Prior to registration, an agreed commitment to the residue component(s) which should be analyzed does not exist. This is contrary to the situation with residue methods, which are developed after MRL setting. Therefore, to establish an acceptable residue definition is the first step necessary prior to any method development. This residue definition for enforcement methods is based on the results of metabolism studies and may cause serious difficulties, especially if the metabolic pathways of the parent compound are very complex, generating a large number of metabolites. [Pg.97]

Special care has to be taken if the polymer is only soluble in a solvent mixture or if a certain property, e.g., a definite value of the second virial coefficient, needs to be adjusted by adding another solvent. In this case the analysis is complicated due to the different refractive indices of the solvent components [32]. In case of a binary solvent mixture we find, that formally Equation (42) is still valid. The refractive index increment needs to be replaced by an increment accounting for a complex formation of the polymer and the solvent mixture, when one of the solvents adsorbs preferentially on the polymer. Instead of measuring the true molar mass Mw the apparent molar mass Mapp is measured. How large the difference is depends on the difference between the refractive index increments ([dn/dc) — (dn/dc)A>0. (dn/dc)fl is the increment determined in the mixed solvents in osmotic equilibrium, while (dn/dc)A0 is determined for infinite dilution of the polymer in solvent A. For clarity we omitted the fixed parameters such as temperature, T, and pressure, p. [Pg.222]


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