Benchmarking meaning

Schmalenbach once said that benchmarking means comparing sloppiness to sloppiness. ... 

Another way of interpreting absolute risk estimates is through the use of benchmarks or goals. Consider a company that operates 50 chemical process facilities. It is determined (through other, purely qualitative means) that Plant A has exhibited acceptable safety performance over the years. A QRA is performed on Plant A, and the absolute estimates are established as calibration points, or benchmarks, for the rest of the firm s facilities. Over the years, QRAs are performed on other facilities to aid in making decisions about safety maintenance and improvement. As these studies are completed, the results are carefully scrutinized against the benchmark facility. The frequency/consequence estimates are not the only results compared—the lists of major risk contributors, the statistical risk importance of safety systems, and other types of QRA results are also compared. As more and more facility results are accumulated, resources are allocated to any plant areas that are out of line with respect to the benchmark facility. 

In order to systematically remedy the previous drawbacks, we recently proposed to perform a perturbation treatment, not on a wavefunction built iteratively, but on a wavefunction that already contains every components needed to properly account for the the chemistry of the problem under investigation [34], In that point of view, we mean that this zeroth-order wavefunction has to be at least qualitatively correct the quantitative aspects of the problem are expected to be recovered at the perturbation level that will include the remaining correlation effects that were not taken into account in the variational process any unbalanced error compensations or non-compensations between the correlation recovered for different states is thus avoided contrary to what might happen when using any truncated CIs. In this contribution, we will report the strategy developed along these lines for the determination of accurate electronic spectra and illustrate this process on the formaldehyde molecule H2CO taken as a benchmark. 

The ISO guide is particularly concerned with the establishment of reference materials which contain the analyte as a small, or even trace, quantity in a complex matrix. These reference materials serve as measurement benchmarks when applying an appropriate analytical procedure for the determination of an analyte in the sample. The value attributed to the reference material is usually the mean of residts obtained from a variety of methods and laboratories. Thus, the value attributed to the substance may have a high degree of uncertainty. A particular reference material is subjected to the same procedure as the test samples so that greater confidence can be given to the results of the test samples provided that the value found for the reference material falls within the given uncertainty. 

Finally, we should mention that experimental data serving as a benchmark for the appraisal of computational methods must be highly accurate. Setting the goal of 2 kcal/mol for useful accuracy of calculated thermochemical data means of course, that a still better level of accuracy must be reached by experimental measurements. The high accuracy of... 

On the subject of comparing iterative methods a word of caution is in order. Clearly in any quantitative comparison, the termination criteria should be comparable and the benchmark problems should be run on the same computer. Yet even for simple problems and methods, these two requirements prove to be difficult to enforce and insufficient to ensure meaningful comparisons. To allow for the fact that different methods do not terminate at exactly the same point even when the same termination criterion is used, Broyden (B13) introduced a mean convergence rate, R, which is... 

Since its discovery in 1980,7 the Sharpless expoxidation of allylic alcohols has become a benchmark classic method in asymmetric synthesis. A wide variety of primary allylic alcohols have been epoxidized with over 90% optical yield and 70-90% chemical yield using TBHP (r-BuOOH) as the oxygen donor and titanium isopropoxide-diethyl tartrate (DET, the most frequently used dialkyl tartrate) as the catalyst. One factor that simplifies the standard epoxidation reaction is that the active chiral catalyst is generated in situ, which means that the pre-preparation of the active catalyst is not required. 

Now that you have reviewed fractions, decimals, and ratios in previous chapters, you are ready to tackle the most common ratio— the percent. The word percent means literally out of one hundred percents compare numerical data to 100. Percent problems are so common that an entire chapter is devoted to this concept. Before you begin learning and reviewing percent, take a few minutes to take this ten-question Benchmark Quiz. These questions are similar to the type of questions that you will find on important tests. When you are finished, check the answer key carefully to assess your results. Your Benchmark Quiz analysis will help you determine how much time you need to spend on the specific areas of percent in which you need the most careful review and practice. 

Unfortunately, WE is a computationally expensive procedure and therefore not easily accessible for the larger systems listed in Tables 6.9 and 6.10. The CBS-RAD procedure, however, demonstrates close agreement with WE. For example, the mean absolute deviation between the WE and CBS-RAD BDEs is 1.6 kJ/mol while the largest absolute deviation is only 3.3 kJ/mol. Therefore, the CBS-RAD method represents a suitable secondary benchmark level for the assessment of the perfor-... 

The goal of this chapter is twofold. First we wish to critically compare—from both a conceptional and a practical point of view—various classical and mixed quantum-classical strategies to describe non-Born-Oppenheimer dynamics. To this end. Section II introduces five multidimensional model problems, each representing a specific challenge for a classical description. Allowing for exact quantum-mechanical reference calculations, aU models have been used as benchmark problems to study approximate descriptions. In what follows, Section III describes in some detail the mean-field trajectory method and also discusses its connection to time-dependent self-consistent-field schemes. The surface-hopping method is considered in Section IV, which discusses various motivations of the ansatz as well as several variants of the implementation. Section V gives a brief account on the quantum-classical Liouville description and considers the possibility of an exact stochastic realization of its equation of motion. 

More stringent electrochemical characterizations were carried by Aurbach and co-workers, who comparatively investigated the interfacial properties of the electrolytes based on LiFAP on anode and cathode materials against the benchmark salts LiPFe and LiBeti through various instrumental means, including voltammetry, EIS, FT-IR, and They... 

Btiilding on atomic studies using even-tempered basis sets, universal basis sets and systematic sequences of even-tempered basis sets, recent work has shown that molecular basis sets can be systematically developed until the error associated with basis set truncation is less that some required tolerance. The approach has been applied first to diatomic molecules within the Hartree-Fock formalism[12] [13] [14] [15] [16] [17] where finite difference[18] [19] [20] [21] and finite element[22] [23] [24] [25] calculations provide benchmarks against which the results of finite basis set studies can be measured and then to polyatomic molecules and in calculations which take account of electron correlation effects by means of second order perturbation theory. The basis sets employed in these calculations are even-tempered and distributed, that is they contain functions centred not only on the atomic nuclei but also on the midpoints of the line segments between these nuclei and at other points. Functions centred on the bond centres were found to be very effective in approaching the Hartree-Fock limit but somewhat less effective in recovering correlation effects. 

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