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Method quantization limit

Analytical chemistry method validation exercises require the collection of extensive data that are used to determine the specificity, linearity, accuracy, precision, range, quantization limit, and robustness of the method. Extensive data not only establish reliable statistical measures, but the statistically reliable results will serve during later times as a tool for evaluating questionable data. [Pg.59]

The development of procedures for the identification of CW agents in biomedical samples is ongoing and existing procedures are continuously improved. Quantization is also an important factor, and an isotope dilution GC/MS/MS method was developed for the quantitative determination of five organophosphorus acids derived from the nerve agents VX, tabun, sarin, soman, and cyclohexyl sarin in urine samples. The acids were isolated and converted into their methyl esters by diazomethane. Detection limits in the low p,g I. 1 were obtained using CID of the protonated molecular ion peaks obtained with isobutane Cl(58). [Pg.277]

A unique feature of the occupation number representation is that the number of electrons does not appear in the definition of the Hamiltonian operator in this form as it does in the wavefunction form. This is because all of the occupation information resides in the bras and kets. This is true for any operator in second quantized form. This feature is used to advantage in theories that allow the number of particles to change, and to a more limited extent in the calculation of electron affinities and ionization potentials. It is less important to the MCSCF method but it is useful to remember that the bras and kets contain all of the occupation information. Other details of the wavefunction, such as the AO and MO basis set information, are included in the integrals that are used as expansion coefficients in the second quantized representation of the operator. [Pg.86]

Another significant application of the centroid-based PI-QTST has been in the area of heterogeneous electron transfer (ET) across the electrodeelectrolyte interface [50]. In the latter research, a computer simulation method was developed for the study of such reactions in the adiabatic limit while allowing for the full quantization of all water solvent modes (i.e., collective dipole librations, molecular bends and stretches, etc.). [Pg.210]

In this book we address several modern quantum chemical tools that are presently being applied at the state-of-the-art level to electronic states of atoms and molecules. We have attempted to concentrate on topics for which textbook coverage does not currently exist in an entirely satisfactory form. The emphasis is on quantum chemical methods whose developments and implementations have been presented in the modern literature primarily in the language of second quantization. We do not assess the precision of the numerical results provided by these methods because many of the techniques discussed are relatively new and their precision limits have not yet been established. [Pg.177]

Another direction of research that was fostered by the KPS work was the development of semiclassical theories of chemical reactions. This development arose because the QCT method is an ad hoc procedure for mimicking quantum effects in chemical reaction dynamics wherein quantization is imposed initially and finally but not in-between. In semiclassical methods, one imposes the > 0 limit of quantum mechanics in a consistent way throughout the reactive collision process. The search for a consistent semiclassical theory eventually produced classical S-matrix theory [14], which is a topic of continuing interest in gas-phase dynamics [15], and it also led to the development of Gaussian wave-packet methods for simulating chemical reactions [16]. [Pg.113]

A method of quantization and analysis of droplets ejected from an inkjet device has been described that overcomes the limitations described above. The method is comprised of depositing one or more drops of a first solvent from an inkjet dispensing device into a cuvette containing a predetermined amount of a second solvent. Then these compoimds are mixed, and the UV-absorption spectra of the resulting solution are recorded. In this way, the mass of the drops dispensed by the inkjet dispensing device can be calculated using a predetermined calibration curve (4). [Pg.12]

The MFT equation of motion (25) can be derived in many ways, including the WKB approximation, the eikonal method, a (semi)classical time-dependent self-consistent field ansatz, density-matrix approaches, and the classical limit of algebraic quantization. Depending on the specific approach used, slightly different MFT schemes may result. For example, the classical force can be described either by the average of the quantum force as in Eq. (25) or by the derivative of the average quantum potential. [Pg.640]

Compression could be lossless if it achieves exact reconstruction of the original image and lossy when it includes quantization. In general, lossless compression is preferred in medical applications in order to maintain the data integrity and to expedite accurate diagnosis. However, lossless compression provides relatively low compression ratios when compared to lossy methods. Therefore, certain applications such as telemedicine suffer from this limitation [18]. [Pg.490]

As noted in the Introduction, in this presentation, we will limit our formalism and analysis to one dimensional, rational fraction, bound state potentials, for simplicity. Our intention is to motivate what we perceive to be the principal importance of Continuous Wavelet Transform (CWT) theory in quantum mechanics, that of facilitating the multiscale analysis of singular systems, particularly those associated with multiple (complex) turning point interactions. The understanding of these issues rests on a clear appreciation of the significant role Moment Quantization methods bear on the multiscale analysis of quantum operators. [Pg.209]

Through the method of ATP quantification (bioluminescence) it was possible to obtain fast results what lead to an immediate efficient capacity of clear interpretation of the results. With this method it was found that most of the health professional s hands showed signs of the presence of organic matter whereas the values of quantization levels of ATP obtained were not the preeminent and most exceeded the Reference Limit Value (RLU 500). However, there may be several factors mentioned above to justify such results. It would be expected better results in the levels of ATP in the hands of health professionals because there were obtained good results about level of knowledge about hand hygiene by the questionnaire. [Pg.293]


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See also in sourсe #XX -- [ Pg.60 ]




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Limit method

Method limitations

Quantization

Quantized

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