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Configuration level

At the second level (configuration level) (Figure 1.2), to each basic process a process type is assigned which is one of the following ... [Pg.10]

Fig. 4. Configuration coordinate diagram of Pr + showing radiationless decay from the Po to the level via a c.t. state (virtual recharge mechanism). The relevant 4/ configuration levels have been drawn only. Note break in energy scale... Fig. 4. Configuration coordinate diagram of Pr + showing radiationless decay from the Po to the level via a c.t. state (virtual recharge mechanism). The relevant 4/ configuration levels have been drawn only. Note break in energy scale...
Two specific features determine the similarity and difference of energy levels in di- and trivalent ions of rare-earth elements. First, isoelectronic configurations of TR " and of the next elements in the periodic system determines a qualitatively similar pattern of terms and multiplet levels, namely for TR the order of the 4/ -configuration levels and of excited 4f 5d-configuration levels... [Pg.126]

A relative ratio between the 4/ and 4/ 5d-configuration levels energies specifies a sharply distinctive position of broad bands in the spectra of trivalent and divalent rare-earth ions, hi the TR + spectra, with the exception of Ce +, broad bands fall into a relatively far UV region and they yield only fine spectra in the visible and adjacent regions. In the spectra broad bands fall into the visible and near-UV regions. Thus in the case of TR + the f-d and /-/ transitions he close to each other and overlap. Three individual cases are distinguished in the TR + liuninescence spectra, namely broad bands due to d-f transitions, line IR spectra and a combination of bands and fines. [Pg.128]

But even when no symmetry breaking is apparent at the single-configuration level, the need for multiconfiguration descriptions may be inescapable, as will be shown here. [Pg.288]

The ground-state electronic configurations (levels) of neutral and singly ionized berkelium were identified as 5f 7s2 (6H15/2) and Sf s1 (7H8), respectively (82). A nuclear magnetic dipole moment of 1.5 nuclear magnetons (61) and a quadrupole moment of 4.7 barns (83) were determined for 249Bk, based on analysis of the hyperfine structure in the berkelium emission spectrum. [Pg.35]

Returning to the single configuration level, we see that we can also understand the reasons for the special role of selected individual modes the critical modes will invariably be those that have significant amplitude at the critical solvent(s). Since there is no reason for the number of such modes to be microscopic, this model might remove some of the mystery from the observation that we tend to see a mesoscopic number of contributing modes (though the occurrence of a specifically dependence has yet to be explained) (45,50,52). [Pg.184]

FIGURE 1. Elements of optical activity (EOA) for the description of optical rotations of cyclopropanes referring to the configurational level of representing molecules... [Pg.31]

The restriction of the theoretical treatment of optical rotations of cyclopropanes I to the basis of equations 2, 3 and 5 has several implications with regard to the descriptions of molecules on the conformational level. A discussion of some special cases shall demonstrate that the success of equation 2 does not mean that for the theoretical treatment of optical rotations only the configurational level for representing molecules is relevant. On the contrary, an adequate description of optical rotations of organic compounds must take the various conformations of the compounds and the conformer equilibria explicitly into account The very point is that, due to favorable conformational equilibria, often rotation contributions from conformational effects are small or cancel (to a large extent). [Pg.32]

Fig. 5. EOM and Cl vertical ionization potentials for BH solid line, relaxed Cl long and short dashes, unrelaxed Cl, using SCF orbitals of BH dashed curve, extensive EOM dotted curve, primitive repartitioned EOM. The EOM results are plotted against the tolerance for retaining shake-up-basis operators in the primary operator space, and the dimension of the primary operator space is given in parentheses for each tolerance. The Cl values are presented at the one configuration level (1C), for single and double excitations Cl (SD), and for single, double, and triple excitations Cl (SDT). EOM calculations are not performed at tolerance of 0.01 au because this tolerance does not result in an appreciable increase in the dimensionality of the f -space. Experimental value is 9.77 eV. Asterisk EOM primary operator space restricted to simple ionization operators. Fig. 5. EOM and Cl vertical ionization potentials for BH solid line, relaxed Cl long and short dashes, unrelaxed Cl, using SCF orbitals of BH dashed curve, extensive EOM dotted curve, primitive repartitioned EOM. The EOM results are plotted against the tolerance for retaining shake-up-basis operators in the primary operator space, and the dimension of the primary operator space is given in parentheses for each tolerance. The Cl values are presented at the one configuration level (1C), for single and double excitations Cl (SD), and for single, double, and triple excitations Cl (SDT). EOM calculations are not performed at tolerance of 0.01 au because this tolerance does not result in an appreciable increase in the dimensionality of the f -space. Experimental value is 9.77 eV. Asterisk EOM primary operator space restricted to simple ionization operators.
If there is no inversion symmetry at the site of the rare-earth ion, the uneven cry.stal field components can mix opposite-parity states into the 4/"-configurational levels (Sect. 2.3.3). The electric-dipole transitions are now no longer strictly forbidden and appear as (weak) lines in the spectra, the so-called forced electric-dipole transitions. Some transitions, viz. those with AJ = 0, 2, are hypersensitive to this effect. Even for small deviations from inversion symmetry, they appear dominantly in the spectrum. [Pg.43]

Cellulose and some derivatives form liquid crystals (LC) and represent excellent materials for basic studies of this subject. A variety of different structures are formed, thermotropic and lyotropic LC phases, which exhibit some unusual behavior. Since chirality expresses itself on the configuration level of molecules as well as on the conformation level of helical structures of chain molecules, both elements will influence the twisting of the self-assembled supermolecular helicoidal structure formed in a mesophase. These supermolecular structures of chiral materials exhibit special optical properties as iridescent colors, and... [Pg.453]

Levels (SCOR) SCOR processes decompose to three levels. Level 1 is composed of the five core management processes. Level 2 is the configuration level and depends on supply chain design. Level 2 process examples are a letter and a number, like PP for Plan supply chain and Ml for Make-to-Stock. Configuration types include Make-to-Stock, Make-to-Order, and Engineer-to-Order. Level 3 activities are process elements supporting Level 2. Level 4 processes are company-specihc and fall outside SCOR. [Pg.537]

Configuration Level at this level, there is a total of 21 categories of processes for the processes of the first level, by means of which the supply chain can be configured. For each executive process Source, Make, Deliver shared is a variant-oriented warehouse (MTS), in order (MTO) and structure (ECA). [Pg.555]


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See also in sourсe #XX -- [ Pg.521 ]




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Beyond electronic configurations terms, levels, states

Configuration interaction 2 levels

Configuration interaction excitation level truncation

Electronic configuration Energy levels

Energy levels configuration

Multireference configuration interaction with singles level

Quadratic configuration interaction single-level method

Single configurational coordinate energy level

Single configurational coordinate energy level diagram

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