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Fundamental restrictions

It should be noted that several of the proposed functionals violate fundamental restrictions, such as predicting correlation energies for one-electron systems (for example P86 and PW91) or failing to have the exchange energy cancel the Coulomb self-repulsion (Section 3.3, eq. (3.32)). One of the more recent functionals which does not have these problems is due to Becke (B95), which has the form... [Pg.187]

For further progress it is necessary to specify how E varies with D, or how P depends on Ea. For this purpose, we introduce the constitutive relations D - e(T,V)E or P - ot0(T,V)F0, where e is the dielectric constant and a0 is a modified polarizability. (Conventionally, the polarizability is defined through the relation P - oE, but no confusion is likely to arise through the introduction of this variant.) Note several restrictions inherent in the use of these constitutive relations. First, the material under study is assumed to be isotropic. If this is not the case, e and c 0 become tensors. Second, the material medium must not contain any permanent dipole moments in the preceding constitutive relations P or E vanishes when E0 or D does. Third, we restrict our consideration to so-called linear materials wherein e or a0 do not depend on the electric field phenomena such as ferroelectric or hysteresis effects are thus excluded from further consideration. These three simplifications obviously are not fundamental restrictions but render subsequent manipulations more tractable. Finally, in accord with experimental information available on a wide variety of materials, e and aQ are considered to be functions of temperature and density assuming constant composition, these quantities vary with T and V. [Pg.496]

The allocation of allowances to the individual installations in the first trading period 2005-2007 was characterised in the main by two fundamental restrictions ... [Pg.99]

As seen, the fit is quite good and is found to produce a and values that are in reasonable accord with experimental values up to 5 mol/kg. For the simple 1 1 salt indicated, the hydration may be split in hydration numbers of the ions. The model has, however, the drawback that the /c model is fundamentally restricted to concentrations lower than 1 mol/kg. [Pg.462]

Fed-batch bioreactors—This method begins as a batch mode of operation as cells undergo their initial growth phase. However, run time, cell mass, and product titer are increased with the addition of supplemental nutrients, or feeds, to the bioreactor. These reactors are cost effective to run because higher product titers can be achieved from a single extended reactor run, increasing volumetric productivity. However, volumetric output is fundamentally restricted by the size of the vessel, and formation of toxic cellular metabolites can limit the duration of each reactor run. [Pg.438]

The design of this manipulator has demonstrated the adaptability of the links principle in a restricted space envelope and provides an example of the variations which can be developed around the basic concept. The fundamental restriction with a manipulator of this size and duty will be the very high stress levels Imposed on small size matericil sections with resultant higher levels of mast and links chain deflection under load. It is Intended to carry out more detailed work to analyse and compensate for manipulator deflections and to utilise the Marchwood Engineering Laboratories graphics display system to provide the maximum information on camera position to the operator. [Pg.283]

A fundamental restriction of all these learning machines is the aim of the learning process namely a plane which classifies correctly the whole training set. Other optimization criteria may be more useful in certain cases C3183 see Chapters 2.3 and 2.4. [Pg.37]

As shown in Section 5.2, the system has two real poles at s = p and two real zeros at i = z. Thus the system has both a right-half plane (RHP) pole and an RHP zero as discussed in the textbooks [25, 26], this imposes fundamental restrictions on feedback control performance. In particular, as discussed by Skogestad and Postlethwaite [26, Section 5.9, p. 185], system bandwidth (as measured by the critical frequency, coc, [26, Section 2.4.5, p. 36]) should be approximately bounded by... [Pg.185]

A fundamental restriction in the theory developed above is that the length d of the zone at the edge of contact where the adhesive forces act (Dugdale zone) should be small... [Pg.38]

Apart from these fundamental restrictions on the choice of materials, the major technological limiting factor for the efficiency of thermogenerators is the quality of electrical and thermal contacts. In the formulae given above, all the contacts are supposed to be ideal, but all the equations should be rewritten taking into account thermal and electrical resistances. When performing such a treatment, the manufacturing factor MF which reflects the quality of the contacts, can be introduced. The output power is defined by ... [Pg.207]

Back in 1929, Szilard [220] presented several famous gedanken the fundamental restrictions experiments from which one can assume that additional information about a system can lead to decrease its entropy, even for a single molecule imprisoned by a piston-and-cylinder boundary. It may well provide the concept that there is a thermodynamic cost for any measurement. Eventually, it... [Pg.184]

The results indicate the atomic level interaction force is reflected directly in the macroscopic sliding system adopted in this experiment. These results provide information to help understand the microscopic phenomenon on the sliding surface, give insight into fundamental restrictions of design for a sliding surface with low fnction force, as well as the design of useful solid lubricant surfaces in vacuum space and memory disks. [Pg.806]


See other pages where Fundamental restrictions is mentioned: [Pg.303]    [Pg.67]    [Pg.139]    [Pg.338]    [Pg.175]    [Pg.27]    [Pg.17]    [Pg.58]    [Pg.51]    [Pg.624]    [Pg.341]    [Pg.884]    [Pg.144]    [Pg.157]    [Pg.254]    [Pg.216]    [Pg.309]    [Pg.323]    [Pg.6601]    [Pg.261]    [Pg.167]    [Pg.226]    [Pg.133]    [Pg.478]    [Pg.236]    [Pg.612]    [Pg.241]   
See also in sourсe #XX -- [ Pg.185 ]




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