Thus E. is the average value of the kinetic energy plus the Coulombic attraction to the nuclei for an electron in ( ). plus the sum over all of the spin orbitals occupied in of the Coulomb minus exchange interactions. If is an occupied spin orbital, the temi [J.. - K..] disappears and the latter sum represents the Coulomb minus exchange interaction of ( ). with all of the 1 other occupied spin orbitals. If is a virtual spin orbital, this cancellation does not occur, and one obtains the Coulomb minus exchange interaction of cji. with all N of the occupied spin orbitals. [Pg.2173]

Nevertheless, an average value between 0.30 and 0.31 is acceptable and the calculated error is reasonable. [Pg.114]

This provides a recipe for calculating the average value of the system property associated with the quantum-mechanical operator A, for a specific but arbitrary choice of the wavefiinction T, notably those choices which are not eigenfunctions of A. [Pg.11]

The denominator in Eq. (13) can be interpreted as an average value over the momentum distribution from the initial wavepacket, that is, [Pg.50]

Fluctuations of observables from their average values, unless the observables are constants of motion, are especially important, since they are related to the response fiinctions of the system. For example, the constant volume specific heat of a fluid is a response function related to the fluctuations in the energy of a system at constant N, V and T, where A is the number of particles in a volume V at temperature T. Similarly, fluctuations in the number density (p = N/V) of an open system at constant p, V and T, where p is the chemical potential, are related to the isothemial compressibility iCp which is another response fiinction. Temperature-dependent fluctuations characterize the dynamic equilibrium of themiodynamic systems, in contrast to the equilibrium of purely mechanical bodies in which fluctuations are absent. [Pg.437]

Weight and volume net heating values of commercial motor fuels (average values). [Pg.184]

Suppose that the system property A is of interest, and that it corresponds to the quantum-mechanical operator A. The average value of A obtained m a series of measurements can be calculated by exploiting the corollary to the fifth postulate [Pg.13]

A European Directive, 85/210/EEC, limits benzene content to 5% by volume in all gasolines regular, premium, with or without lead. This level is easily achieved, since the average value in 1993 was less than 3%. in France, for example, average benzene concentrations of 1.7% and 2.6% were reported for leaded and unleaded premium fuels, respectively, in 1993. [Pg.258]

At this point, it is appropriate to mention an elementary concept from the theory of probability. If there are n possible numerical outcomes associated with a particular process, the average value ( ) can be calculated by simnning up all of the outcomes, each weighted by its corresponding probability [Pg.10]

The product sublimation and melting are both carried out on a noncontinuous basis. Thus time-averaged values have been taken. [Pg.334]

The most important factor for maturation and hydrocarbon type is therefore heat. The increase of temperature with depth is dependent on the geothermal gradient which varies from basin to basin An average value is about 3°C per 100 meters of depth. [Pg.13]

Flere we discuss only briefly the simulation of continuous transitions (see [132. 135] and references therein). Suppose that tire transition is characterized by a non-vanishing order parameter X and a corresponding divergent correlation length We shall be interested in the block average value where the L [Pg.2267]

In world practice RCT application is considered to the decision of control of the high density objects. The particular feature of RCT is the possibility of the reception of the quantitative information. Besides, the absence of characteristic to X-ray CT result distortions, which are caused by variation of an average value of polychromatic radiation energy, when it passes through an article, promotes the increase of accuracy characteristics of radionuclide CT [Pg.598]

The thennodynamic properties of a fluid can be calculated from the two-, tln-ee- and higher-order correlation fiinctions. Fortunately, only the two-body correlation fiinctions are required for systems with pairwise additive potentials, which means that for such systems we need only a theory at the level of the two-particle correlations. The average value of the total energy [Pg.472]

For convenience, the probability axis may be split into three equal sectors in order to be able to represent the curve by just three points. Each point represents the average value of reserves within the sector. Again for convenience, the three values correspond to chosen cumulative probabilities (85%, 50%, and 15%), and are denoted by the values [Pg.163]

See also in sourсe #XX -- [ Pg.163 ]

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See also in sourсe #XX -- [ Pg.98 , Pg.102 , Pg.103 , Pg.116 , Pg.117 ]

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See also in sourсe #XX -- [ Pg.19 , Pg.20 ]

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