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Correction Method

It is possible to make a method approximately size-extensive by adding a correction to the final energy. This has been most widely used for correcting CISD energies. This is a valuable technique because a simple energy correction formula is easier to work with than full Cl calculations, which require an immense amount of computational resources. The most widely used correction is the Davidson correction  [Pg.224]

A slightly improved form of this equation is the renormalized Davidson correction, which is also called the Brueckner correction  [Pg.225]

This generally gives a slight improvement over the Davidson correction, although it does not reach the full Cl limit. [Pg.225]

A more detailed perturbation theory analysis leads to an improved correction formula. This method, known as the Davidson and Silver or Siegbahn correction, is [Pg.225]

This correction does approximate the full Cl energy, although it may overcorrect the energy. [Pg.225]


Most realistic problems involve an anlrannonic bath. How to detennine O for an arbitrary anliannonic bath is not yet known. Other correction methods have been discussed, including the method proposed by Egelstaff [62]. [Pg.3037]

There is no correct method of performing cluster analysis and a large number of algorithms have been devised from which one must choose the most appropriate approach. There can also be a wide variation in the efficiency of the various cluster algorithms, which may be an important consideration if the data set is large. [Pg.507]

A more complex set of functionals utilizes the electron density and its gradient. These are called gradient-corrected methods. There are also hybrid methods that combine functionals from other methods with pieces of a Hartree-Fock calculation, usually the exchange integrals. [Pg.43]

There are many more error correction methods, which are reviewed in detail by Duch and Diercksen. They also discuss the correction of other wave functions, such as multireference methods. In their tests with various numbers of Be atoms, the correction most closely reproducing the full Cl energy is... [Pg.225]

The methodical elaboration is included for estimation of random and systematic errors by using of single factor dispersion analysis. For this aim the set of reference samples is used. X-ray analyses of reference samples are performed with followed calculation of mass parts of components and comparison of results with real chemical compositions. Metrological characteristics of x-ray fluorescence silicate analysis are established both for a-correction method and simplified fundamental parameter method. It is established, that systematic error of simplified FPM is less than a-correction method, if the correction of zero approximation for simplified FPM is used by preliminary established correlation between theoretical and experimental set data. [Pg.234]

In the experiment was determined that for linear calibration curve for CrKa in GSO PG24-PG31 the standai d error was 0.045%. The application of theoretical corrections method enables a decrease of that value to the level of 0.013%. In case when for the analytical parameter is taken the ratio L /L the standai d deviation decreases to 0.002%. [Pg.442]

So in this chapter of failure analysis and corrective methods, we decided to consider some problems, symptoms, and remedies particular to PD pumps. We re using two tables. The first table lists the few symptoms that send a PD pump into the shop. These symptoms are mated to another column of possible causes listed in numerical order. The numerical causes are on the second tabic starting with the. source of the problem in the left column and the probable cause/suggested remedy in the right column. As you go through the list, you ll see again that PD pumps and centrifugal pumps have a lot in common. Enjoy. [Pg.230]

A method for quantification of the CL, the so-called MAS corrections, in analogy with the ZAP correction method for X rays (see the article on EPMA), has been proposed to account for the effects of the excess carrier concentration, absorption and surface recombination. In addition, a total internal reflection correction should also be included in the analysis, which leads to the MARS set of corrections. This method can be used for further quantification efforts that also should involve Monte Carlo calculations of the generation of excess carriers. [Pg.155]

To evaluate a job effectively, you should have some experience and be trained in the intended purpose of the JHA, have an open mind, and have examples of correct methods. Focusing on safety is essential to the job being evaluated. [Pg.44]

Can the job be simplified If the correct method is difficult, and an incorrect method is easy, people are likely to use the incorrect method. [Pg.79]

Gradient corrected methods usually perform much better than LSDA. For the G2-1 data set (see Section 5.5), omitting electron affinities, the mean absolute deviations shown in Table 6.1 are obtained. The improvement achieved by adding gradient terms is impressive, and hybrid methods (like B3PW91) perform almost as well as the elaborate G2 model for these test cases. For a somewhat larger set of reference data, called the G2-2 set, the data shown in Table 6.2 are obtained. [Pg.188]

When testing finished wire-rope tensile test specimens to their breaking strength, suitable sockets shall be attached by the correct method. The length of test specimen shall not be less than 3 ft (0.91 m) between sockets for wire ropes up to 1-in. (25.4 mm) diameter and not less than 5 ft (1.52 m) between sockets for wire ropes 1 -J-in. (28.6 mm) to 3-in. (77 mm) diameter. On wire ropes larger than 3 in. (77 mm), the clear length of the test specimen shall be at least 20 times the rope diameter. The test shall be valid if failure occurs 2 in. (50.8 mm) from the sockets or holding mechanism. [Pg.566]

Figure 4-72. Correct method of attaching clips to wire rope [11]. Figure 4-72. Correct method of attaching clips to wire rope [11].
Ensure that the paints are applied in the correct sequence, by the correct method and that they are of the correct color. [Pg.136]

It should be stressed that background correction methods should always be used in furnace AAS. The background effect in this case may be as high as 85 per cent of the total absorption signal. [Pg.794]

Which of the following would be the correct method of administering insulin glargine ... [Pg.508]

With respect to the harmonic content of the strain signal, a correction method was therefore developed for torque harmonics, based on observations made when testing an ideal elastic body, for instance, the calibration spring. T(n(x>/ (a) data are corrected according to... [Pg.827]

FIGURE 30.8 Correction method on total relative torque harmonic content. [Pg.828]


See other pages where Correction Method is mentioned: [Pg.214]    [Pg.141]    [Pg.304]    [Pg.93]    [Pg.224]    [Pg.226]    [Pg.129]    [Pg.901]    [Pg.2269]    [Pg.234]    [Pg.130]    [Pg.234]    [Pg.234]    [Pg.53]    [Pg.190]    [Pg.198]    [Pg.184]    [Pg.185]    [Pg.188]    [Pg.189]    [Pg.192]    [Pg.2]    [Pg.164]    [Pg.795]    [Pg.795]    [Pg.899]    [Pg.208]    [Pg.61]    [Pg.423]    [Pg.828]   


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