Polarization consistent

Physically, equation 23 tells us the polarization consists of a second-order DC field contribution to the static polarization (first term), a frequency component w corresponding to the incident light frequency (second term) and a new frequency doubling component, 2co (third term) ( see Figure 15). 

The possible presence of polarization of ut type (P a) induced in the non-uniform field rather close to an ion, but still within the validity of the assumptions ofEq.s (48)-(51), (57), and (58) is a possible source of error. Physically, ut polarization consists of dipole translation along field towards the ion, increasing the local value of AA) cos 1L(x)A, and Pui,a- To examine this requires knowledge of the binding forces and energies between water molecules. The potential energy Mie function... 

Jensen, F. Polarization consistent basis sets principles, J. Chem. Phys. 2001,115, 9113-9125. 

A linear polarizer is characterized by its degree of polarization P which shows the completeness of the polarization achieved (Bom, 1933). Two ways exist for the quantitative description of P. The first one uses the alternative meanings of polarized and unpolarized . One could state this way that the radiation emerging from a polarizer consists of a completely polarized fraction I, and of a completely unpolarized one / . Then the degree of polarization is defined as ... 

In actual fact, as Debye and Ebert have shown, the total polarization consists of three parts P = -[- Pp - P ... 

The reflective circular polarizer consists of a free-standing wire-grid polarizer parallel to and in front of a flat mirror. Half of the radiation is immediately reflected by the grid, while the other half, polarized in the orthogonal direction, is reflected by the flat mirror and delayed by X/A according to the spacing between the wire-grid polarizer and the mirror. 

The participation of 7 also suggests charge transfer from the amine to oxygen in the planar form. The topological charges for C, N, and O in formamide are presented in Table 25. The C—O bond is quite polarized, consistent with the other oxygenated species discussed above. The O population does... 

Nonlinear polarization characteristics of centrosymmetric molecules modified by the introduction of substituent groups are expressed in the following manner. The dielectric polarization consists of odd-number-order terms as in Eq. (5.23). 

Generally, a solvent or solvent mixture of lowest polarity consistent with a good separation should be employed. Suitable mixing gives mobile phases of... 

Denis PA (2005) Basis set requirements for sulfur compounds in density functional theory a comparison between correlation-consistent, polarized-consistent, and Pople-type basis sets. J Chem Theory Comput 1 900-907... 

The polarization consistent basis sets again employ an energetic criterion for determining the importance of each type of basis function. The level of polarization beyond the isolated atom is indicated by a value after the acronym, i.e. a pc-0 basis set is... 

Table 5.4 Composition in terms of contracted and primitive basis functions for the polarization consistent basis sets...

We will look at the convergence as a function of basis set and amount of electron correlation (Figure 4.3). For independent-particle methods (FIF and DFT) we will use the polarization consistent basis sets (pc-n), while for correlated methods (MP2 and CCSD(T)) we will use the correlation consistent basis sets (cc-pVXZ, X = D,T, Q, 5, 6). Table 11.1 shows how the geometry changes as a function of basis set at the HF level of theory, where the quality of the basis sets is indicated by the maximum angular momentum function included in the basis set. 

For some samples, dipole moment changes may be in a fixed direction during a molecular vibration and, as such, can only be induced when the infrared radiation is polarized in that direction. Polarized infrared radiation can be produced by using a polarizer consisting of a fine grating of parallel metal wires. This approach is known as linear infrared dichroism [13]. 

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