Core approach

Johansson and co-workers have extended the f core approach to compute energies of lanthanide solids, with different valencies assumed for the lanthanide ion, by combining the calculated LSD total energy for the corresponding f core configurations with experimental spectroscopic data for the free atom (Delin et al., 1997). This scheme correctly describes the trends in cohesive energies of the lanthanide metals, including the valence jumps at Eu and Yb, as well as the intricate valencies of Sm and Tm compounds. 

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The sacrificial core approach entails depositing a coating on the surface of particles by either the controlled surface precipitation of inorganic molecular precursors from solution or by direct surface reactions [2,3,5,6,8,9,33-35,38], followed by removal of the core by thermal or chemical means. Using this approach, micron-size hollow capsules of yttrium compounds [2], silica spheres [38], and monodisperse hollow silica nanoparticles [3,35] have been generated. 

Other Applications of the Multiple-Core Approach. The bulk of this chapter has dealt with the specific application of multiple-core methodology to questions of atmospheric Hg deposition. Whole-basin Hg accumulation rates for seven lakes, calculated from multiple sediment cores, were used in a simple mass-balance model to estimate atmospheric fluxes and Hg transport from catchment soils. This approach can be used to answer other limnological questions, and the model is not restricted to Hg or atmospheric deposition. 

We use Slater type basis sets that are of triple- quality in the valence region. These basis sets are augmented by two (all elements in ZORA calculations elements H - Kr in QR calculations ADF standard basis V) or one (all other elements in QR calculations ADF standard basis IV) sets of polarization functions. For Pauli (QR) calculations, we use the frozen core approach (27). The (frozen) core orbitals are... 

Anything less than changing the core approaches to these items will result in a team environment that is less than optimal.f ... 

In the preparation of the fourth edition, we have been guided by the collective wisdom of over fifty reviewers who are experts in one of the three subdisciplines covered in the book and who represent a diversity of experience, including community colleges, and four-year colleges and universities. We have retained the core approach of our successful earlier editions, modernized material where necessary, and expanded or removed material consistent with retention of the original focus and mission of the book. Throughout the project, we have been careful to ensure that the final product is as student-oriented and readable as its predecessors. 

Such epidemiology training emphasizes the science of the observational research methodology as the core approach of the field. However, emphasis is also given on building expertise in din-... 

Besides the distance between the nuclear centers, R, the mass transfer, a = A — A2)/ A + A2) and dynamic deformations of nuclear surfaces, fi, play a most important role in fusion-fission and deep inelastic processes of low energy heavy-ion collisions. The corresponding multi-dimensional adiabatic potential energy surface was calculated here within the semi-empirical two-core approach [68] based... 

To promote internationalization by developing, as a core approach, direct investment in the overseas countries. 

As described in Section 1, there exist many theoretical approaches to calculating electronic structure of solids, and most of them have also been applied to lanthanides. In this section, we shall briefly overview some of the most widely used, focusing however on the SIC-LSD, in both full and local implementations, as this is the method of choice for most of the calculations reported in this chapter. The simplest approach to deal with the f electrons is to treat them like any other electron, that is, as itinerant band states. Hence, we start our review of modem methods with a brief account of the standard LDA and its spin-polarized version, namely the LSD approximation. We also comment on the use of LSD in the cases, where one restricts the variational space by fixing the assumed number of f electrons to be in the (chemically inert) core ( f-core approach). Following this, we then briefly overview the basics of other, more advanced, electronic stmcture methods mentioned in Section 1, as opposed to a more elaborate description of the SIC-LSD method. 

With respect to a discussion of the practical value of alternative stationary phase architectures, we, therefore, restrict this section to the solid core approach. 

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