Electric tensor

As implied by the trace expression for the macroscopic optical polarization, the macroscopic electrical susceptibility tensor at any order can be written in temis of an ensemble average over the microscopic nonlmear polarizability tensors of the individual constituents. 

The electric field gradient is again a tensor interaction that, in its principal axis system (PAS), is described by the tluee components F Kand V, where indicates that the axes are not necessarily coincident with the laboratory axes defined by the magnetic field. Although the tensor is completely defined by these components it is conventional to recast these into the electric field gradient eq = the largest component,... 

The electric moments are examples of tensor properties the charge is a rank 0 tensor (which i the same as a scalar quantity) the dipole is a rank 1 tensor (which is the same as a vectoi with three components along the x, y and z axes) the quadrupole is a rank 2 tensor witl nine components, which can be represented as a 3 x 3 matrix. In general, a tensor of ran] n has 3" components. 

As implied by this, the polarizabilities can be formulated as derivatives of the dipole moment with respect to the incident electric held. Below these derivatives are given, with subscripts added to indicate their tensor nature ... 

For many problems it is convenient to separate the piezoelectric (i.e., strain induced) polarization P from electric-field-induced polarizations by defining D = P + fi , where s is the permittivity tensor. For uniaxial strain and electric field along the 1 axis, when the material is described by Eq. (4.1) with the E term omitted. 

Electric field gradient tensor 24 Entanglements 124 Entropy model 200,201 Epoxy composites 192... 

A sequence of calculations can be performed with various applied electric fields in which the dipole moment of the molecule is evaluated, as described above. The 3x3 polarisability tensor, can therefore be constructed. 

The form of the effective mobility tensor remains unchanged as in Eq. (125), which imphes that the fluid flow does not affect the mobility terms. This is reasonable for an uncharged medium, where there is no interaction between the electric field and the convective flow field. However, the hydrodynamic term, Eq. (128), is affected by the electric field, since electroconvective flux at the boundary between the two phases causes solute to transport from one phase to the other, which can change the mean effective velocity through the system. One can also note that even if no electric field is applied, the mean velocity is affected by the diffusive transport into the stationary phase. Paine et al. [285] developed expressions to show that reversible adsorption and heterogeneous reaction affected the effective dispersion terms for flow in a capillary tube the present problem shows how partitioning, driven both by electrophoresis and diffusion, into the second phase will affect the overall dispersion and mean velocity terms. 

Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene... 

A computer program for the theoretical determination of electric polarizabilities and hyperpolarizabilitieshas been implemented at the ab initio level using a computational scheme based on CHF perturbation theory [7-11]. Zero-order SCF, and first-and second-order CHF equations are solved to obtain the corresponding perturbed wavefunctions and density matrices, exploiting the entire molecular symmetry to reduce the number of matrix element which are to be stored in, and processed by, computer. Then a /j, and iap-iS tensors are evaluated. This method has been applied to evaluate the second hyperpolarizability of benzene using extended basis sets of Gaussian functions, see Sec. VI. 

Table 1 Theoretical electric hyperpolarizability tensor of benzene molecule (in a.u.). ...

Coupled Hartree-Fock approach to electric hyperpolarizability tensors in benzene... 

Here, I, I, and I are angular momentum operators, Q is the quadrupole moment of the nucleus, the z component, and r the asymmetry parameter of the electric field gradient (efg) tensor. We wish to construct the Hamiltonian for a nucleus if the efg jumps at random between HS and LS states. For this purpose, a random function of time / (f) is introduced which can assume only the two possible values +1. For convenience of presentation we assume equal... 

The first derivative of the potential T at r = (0,0,0), taken as negative value, represents the ekctric field E, and the second derivative represents the electric field gradient tensor V at the nucleus,... 

When inserting into (4.5), the term ZeR will be multiplied with the elements of the electric field gradient tensor V. Fortunately, the procedure can be restricted to diagonal elements Vu, because V is symmetric and, consequently, a principal axes system exists in which the nondiagonal elements vanish, = 0. The diagonal elements can be determined by using Poisson s differential equation for the electronic potential at point r = 0 with charge density (0), AV = Anp, which yields... 

Equation (4.15) would be extremely onerous to evaluate by explicit treatment of the nucleons as a many-particle system. However, in Mossbauer spectroscopy, we are dealing with eigenstates of the nucleus that are characterized by the total angular momentum with quantum number 7. Fortunately, the electric quadrupole interaction can be readily expressed in terms of this momentum 7, which is called the nuclear spin other properties of the nucleus need not to be considered. This is possible because the transformational properties of the quadrupole moment, which is an irreducible 2nd rank tensor, make it possible to use Clebsch-Gordon coefficients and the Wigner-Eckart theorem to replace the awkward operators 3x,xy—(5,yr (in spatial coordinates) by angular momentum operators of the total... 

The leading term in T nuc is usually the magnetic hyperfine coupling IAS which connects the electron spin S and the nuclear spin 1. It is parameterized by the hyperfine coupling tensor A. The /-dependent nuclear Zeeman interaction and the electric quadrupole interaction are included as 2nd and 3rd terms. Their detailed description for Fe is provided in Sects. 4.3 and 4.4. The total spin Hamiltonian for electronic and nuclear spin variables is then ... 

Physical Interpretation of the Electric Field Gradient Tensor... 

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