standard basis sets: Topics by WorldWideScience.org

Sample records for standard basis sets

Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme.

Science.gov (United States)

Anacker, Tony; Hill, J Grant; Friedrich, Joachim

2016-04-21

Minimal basis sets, denoted DSBSenv, based on the segmented basis sets of Ahlrichs and co-workers have been developed for use as environmental basis sets for the domain-specific basis set (DSBS) incremental scheme with the aim of decreasing the CPU requirements of the incremental scheme. The use of these minimal basis sets within explicitly correlated (F12) methods has been enabled by the optimization of matching auxiliary basis sets for use in density fitting of two-electron integrals and resolution of the identity. The accuracy of these auxiliary sets has been validated by calculations on a test set containing small- to medium-sized molecules. The errors due to density fitting are about 2-4 orders of magnitude smaller than the basis set incompleteness error of the DSBSenv orbital basis sets. Additional reductions in computational cost have been tested with the reduced DSBSenv basis sets, in which the highest angular momentum functions of the DSBSenv auxiliary basis sets have been removed. The optimized and reduced basis sets are used in the framework of the domain-specific basis set of the incremental scheme to decrease the computation time without significant loss of accuracy. The computation times and accuracy of the previously used environmental basis and that optimized in this work have been validated with a test set of medium- to large-sized systems. The optimized and reduced DSBSenv basis sets decrease the CPU time by about 15.4% and 19.4% compared with the old environmental basis and retain the accuracy in the absolute energy with standard deviations of 0.99 and 1.06 kJ/mol, respectively.
Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

Energy Technology Data Exchange (ETDEWEB)

Spackman, Peter R.; Karton, Amir, E-mail: amir.karton@uwa.edu.au [School of Chemistry and Biochemistry, The University of Western Australia, Perth, WA 6009 (Australia)

2015-05-15

Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L{sup α} two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol{sup –1}. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol{sup –1}.
Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

International Nuclear Information System (INIS)

Spackman, Peter R.; Karton, Amir

2015-01-01

Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L α two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol –1 . The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol –1
An expanded calibration study of the explicitly correlated CCSD(T)-F12b method using large basis set standard CCSD(T) atomization energies.

Science.gov (United States)

Feller, David; Peterson, Kirk A

2013-08-28

The effectiveness of the recently developed, explicitly correlated coupled cluster method CCSD(T)-F12b is examined in terms of its ability to reproduce atomization energies derived from complete basis set extrapolations of standard CCSD(T). Most of the standard method findings were obtained with aug-cc-pV7Z or aug-cc-pV8Z basis sets. For a few homonuclear diatomic molecules it was possible to push the basis set to the aug-cc-pV9Z level. F12b calculations were performed with the cc-pVnZ-F12 (n = D, T, Q) basis set sequence and were also extrapolated to the basis set limit using a Schwenke-style, parameterized formula. A systematic bias was observed in the F12b method with the (VTZ-F12/VQZ-F12) basis set combination. This bias resulted in the underestimation of reference values associated with small molecules (valence correlation energies 0.5 E(h)) and an even larger overestimation of atomization energies for bigger systems. Consequently, caution should be exercised in the use of F12b for high accuracy studies. Root mean square and mean absolute deviation error metrics for this basis set combination were comparable to complete basis set values obtained with standard CCSD(T) and the aug-cc-pVDZ through aug-cc-pVQZ basis set sequence. However, the mean signed deviation was an order of magnitude larger. Problems partially due to basis set superposition error were identified with second row compounds which resulted in a weak performance for the smaller VDZ-F12/VTZ-F12 combination of basis sets.
Radiobiological basis for setting neutron radiation safety standards

International Nuclear Information System (INIS)

Straume, T.

1985-01-01

Present neutron standards, adopted more than 20 yr ago from a weak radiobiological data base, have been in doubt for a number of years and are currently under challenge. Moreover, recent dosimetric re-evaluations indicate that Hiroshima neutron doses may have been much lower than previously thought, suggesting that direct data for neutron-induced cancer in humans may in fact not be available. These recent developments make it urgent to determine the extent to which neutron cancer risk in man can be estimated from data that are available. Two approaches are proposed here that are anchored in particularly robust epidemiological and experimental data and appear most likely to provide reliable estimates of neutron cancer risk in man. The first approach uses gamma-ray dose-response relationships for human carcinogenesis, available from Nagasaki (Hiroshima data are also considered), together with highly characterized neutron and gamma-ray data for human cytogenetics. When tested against relevant experimental data, this approach either adequately predicts or somewhat overestimates neutron tumorigenesis (and mutagenesis) in animals. The second approach also uses the Nagasaki gamma-ray cancer data, but together with neutron RBEs from animal tumorigenesis studies. Both approaches give similar results and provide a basis for setting neutron radiation safety standards. They appear to be an improvement over previous approaches, including those that rely on highly uncertain maximum neutron RBEs and unnecessary extrapolations of gamma-ray data to very low doses. Results suggest that, at the presently accepted neutron dose limit of 0.5 rad/yr, the cancer mortality risk to radiation workers is not very different from accidental mortality risks to workers in various nonradiation occupations
Dynamical basis set

International Nuclear Information System (INIS)

Blanco, M.; Heller, E.J.

1985-01-01

A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the molecule. Although semiclassical input is employed, the method becomes ab initio through the standard matrix diagonalization variational method. Special attention is given to classical-quantum correspondences for angular momentum. In particular, it is shown that the use of semiclassical information preferentially leads to angular momentum eigenstates with magnetic quantum number Vertical BarMVertical Bar equal to the total angular momentum J. The present method offers a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable
Will the changes proposed to the conceptual framework’s definitions and recognition criteria provide a better basis for the IASB standard setting?

NARCIS (Netherlands)

Brouwer, A.; Hoogendoorn, M.; Naarding, E.

2015-01-01

In this paper we evaluate the International Accounting Standards Board’s (IASB) efforts, in a discussion paper (DP) of 2013, to develop a new conceptual framework (CF) in the light of its stated ambition to establish a robust and consistent basis for future standard setting, thereby guiding standard
Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

Science.gov (United States)

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.
Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

Science.gov (United States)

Feller, David; Dixon, David A

2018-03-08

Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.
Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations.

Science.gov (United States)

Laun, Joachim; Vilela Oliveira, Daniel; Bredow, Thomas

2018-02-22

Consistent basis sets of double- and triple-zeta valence with polarization quality for the fifth period have been derived for periodic quantum-chemical solid-state calculations with the crystalline-orbital program CRYSTAL. They are an extension of the pob-TZVP basis sets, and are based on the full-relativistic effective core potentials (ECPs) of the Stuttgart/Cologne group and on the def2-SVP and def2-TZVP valence basis of the Ahlrichs group. We optimized orbital exponents and contraction coefficients to supply robust and stable self-consistent field (SCF) convergence for a wide range of different compounds. The computed crystal structures are compared to those obtained with standard basis sets available from the CRYSTAL basis set database. For the applied hybrid density functional PW1PW, the average deviations of calculated lattice constants from experimental references are smaller with pob-DZVP and pob-TZVP than with standard basis sets. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.
The Dirac Equation in the algebraic approximation. VII. A comparison of molecular finite difference and finite basis set calculations using distributed Gaussian basis sets

NARCIS (Netherlands)

Quiney, H. M.; Glushkov, V. N.; Wilson, S.; Sabin,; Brandas, E

2001-01-01

A comparison is made of the accuracy achieved in finite difference and finite basis set approximations to the Dirac equation for the ground state of the hydrogen molecular ion. The finite basis set calculations are carried out using a distributed basis set of Gaussian functions the exponents and
Research on Standard and Automatic Judgment of Press-fit Curve of Locomotive Wheel-set Based on AAR Standard

Science.gov (United States)

Lu, Jun; Xiao, Jun; Gao, Dong Jun; Zong, Shu Yu; Li, Zhu

2018-03-01

In the production of the Association of American Railroads (AAR) locomotive wheel-set, the press-fit curve is the most important basis for the reliability of wheel-set assembly. In the past, Most of production enterprises mainly use artificial detection methods to determine the quality of assembly. There are cases of miscarriage of justice appear. For this reason, the research on the standard is carried out. And the automatic judgment of press-fit curve is analysed and designed, so as to provide guidance for the locomotive wheel-set production based on AAR standard.
Correlation consistent basis sets for actinides. I. The Th and U atoms

Energy Technology Data Exchange (ETDEWEB)

Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

2015-02-21

New correlation consistent basis sets based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DKH) Hamiltonians have been developed from double- to quadruple-zeta quality for the actinide atoms thorium and uranium. Sets for valence electron correlation (5f6s6p6d), cc − pV nZ − PP and cc − pV nZ − DK3, as well as outer-core correlation (valence + 5s5p5d), cc − pwCV nZ − PP and cc − pwCV nZ − DK3, are reported (n = D, T, Q). The -PP sets are constructed in conjunction with small-core, 60-electron PPs, while the -DK3 sets utilized the 3rd-order Douglas-Kroll-Hess scalar relativistic Hamiltonian. Both series of basis sets show systematic convergence towards the complete basis set limit, both at the Hartree-Fock and correlated levels of theory, making them amenable to standard basis set extrapolation techniques. To assess the utility of the new basis sets, extensive coupled cluster composite thermochemistry calculations of ThF{sub n} (n = 2 − 4), ThO{sub 2}, and UF{sub n} (n = 4 − 6) have been carried out. After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF{sub 4}, ThF{sub 3}, ThF{sub 2}, and ThO{sub 2} are all within their experimental uncertainties. Bond dissociation energies of ThF{sub 4} and ThF{sub 3}, as well as UF{sub 6} and UF{sub 5}, were similarly accurate. The derived enthalpies of formation for these species also showed a very satisfactory agreement with experiment, demonstrating that the new basis sets allow for the use of accurate composite schemes just as in molecular systems composed only of lighter atoms. The differences between the PP and DK3 approaches were found to increase with the change in formal oxidation state on the actinide atom, approaching 5-6 kcal/mol for the atomization enthalpies of ThF{sub 4} and ThO{sub 2}. The DKH3 atomization energy of ThO{sub 2} was calculated to be smaller than the DKH2
Standard Establishment Through Scenarios (SETS): A new technique for occupational fitness standards.

Science.gov (United States)

Blacklock, R E; Reilly, T J; Spivock, M; Newton, P S; Olinek, S M

2015-01-01

An objective and scientific task analysis provides the basis for establishing legally defensible Physical Employment Standards (PES), based on common and essential occupational tasks. Infrequent performance of these tasks creates challenges when developing PES based on criterion, or content validity. Develop a systematic approach using Subject Matter Experts (SME) to provide tasks with 1) an occupationally relevant scenario considered common to all personnel; 2) a minimum performance standard defined by time, distance, load or work. Examples provided here relate to the development of a new PES for the Canadian Armed Forces (CAF). SME of various experience are selected based on their eligibility criteria. SME are required to define a reasonable scenario for each task from personal experience, provide occupational performance requirements of the scenario in sub-groups, and discuss and agree by consensus vote on the final standard based on the definition of essential. A common and essential task for the CAF is detailed as a case example of process application. Techniques to avoid common SME rating errors are discussed and advantages to the method described. The SETS method was developed as a systematic approach to setting occupational performance standards and qualifying information from SME.
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH.

Science.gov (United States)

Usvyat, Denis; Civalleri, Bartolomeo; Maschio, Lorenzo; Dovesi, Roberto; Pisani, Cesare; Schütz, Martin

2011-06-07

The atomic orbital basis set limit is approached in periodic correlated calculations for solid LiH. The valence correlation energy is evaluated at the level of the local periodic second order Møller-Plesset perturbation theory (MP2), using basis sets of progressively increasing size, and also employing "bond"-centered basis functions in addition to the standard atom-centered ones. Extended basis sets, which contain linear dependencies, are processed only at the MP2 stage via a dual basis set scheme. The local approximation (domain) error has been consistently eliminated by expanding the orbital excitation domains. As a final result, it is demonstrated that the complete basis set limit can be reached for both HF and local MP2 periodic calculations, and a general scheme is outlined for the definition of high-quality atomic-orbital basis sets for solids. © 2011 American Institute of Physics
Geometrical correction for the inter- and intramolecular basis set superposition error in periodic density functional theory calculations.

Science.gov (United States)

Brandenburg, Jan Gerit; Alessio, Maristella; Civalleri, Bartolomeo; Peintinger, Michael F; Bredow, Thomas; Grimme, Stefan

2013-09-26

We extend the previously developed geometrical correction for the inter- and intramolecular basis set superposition error (gCP) to periodic density functional theory (DFT) calculations. We report gCP results compared to those from the standard Boys-Bernardi counterpoise correction scheme and large basis set calculations. The applicability of the method to molecular crystals as the main target is tested for the benchmark set X23. It consists of 23 noncovalently bound crystals as introduced by Johnson et al. (J. Chem. Phys. 2012, 137, 054103) and refined by Tkatchenko et al. (J. Chem. Phys. 2013, 139, 024705). In order to accurately describe long-range electron correlation effects, we use the standard atom-pairwise dispersion correction scheme DFT-D3. We show that a combination of DFT energies with small atom-centered basis sets, the D3 dispersion correction, and the gCP correction can accurately describe van der Waals and hydrogen-bonded crystals. Mean absolute deviations of the X23 sublimation energies can be reduced by more than 70% and 80% for the standard functionals PBE and B3LYP, respectively, to small residual mean absolute deviations of about 2 kcal/mol (corresponding to 13% of the average sublimation energy). As a further test, we compute the interlayer interaction of graphite for varying distances and obtain a good equilibrium distance and interaction energy of 6.75 Å and -43.0 meV/atom at the PBE-D3-gCP/SVP level. We fit the gCP scheme for a recently developed pob-TZVP solid-state basis set and obtain reasonable results for the X23 benchmark set and the potential energy curve for water adsorption on a nickel (110) surface.
A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error.

Science.gov (United States)

Plumley, Joshua A; Dannenberg, J J

2011-06-01

We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.
Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.

Science.gov (United States)

Saller, Maximilian A C; Habershon, Scott

2017-07-11

Methods for solving the time-dependent Schrödinger equation via basis set expansion of the wave function can generally be categorized as having either static (time-independent) or dynamic (time-dependent) basis functions. We have recently introduced an alternative simulation approach which represents a middle road between these two extremes, employing dynamic (classical-like) trajectories to create a static basis set of Gaussian wavepackets in regions of phase-space relevant to future propagation of the wave function [J. Chem. Theory Comput., 11, 8 (2015)]. Here, we propose and test a modification of our methodology which aims to reduce the size of basis sets generated in our original scheme. In particular, we employ short-time classical trajectories to continuously generate new basis functions for short-time quantum propagation of the wave function; to avoid the continued growth of the basis set describing the time-dependent wave function, we employ Matching Pursuit to periodically minimize the number of basis functions required to accurately describe the wave function. Overall, this approach generates a basis set which is adapted to evolution of the wave function while also being as small as possible. In applications to challenging benchmark problems, namely a 4-dimensional model of photoexcited pyrazine and three different double-well tunnelling problems, we find that our new scheme enables accurate wave function propagation with basis sets which are around an order-of-magnitude smaller than our original trajectory-guided basis set methodology, highlighting the benefits of adaptive strategies for wave function propagation.
The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.

Science.gov (United States)

Sylvetsky, Nitai; Kesharwani, Manoj K; Martin, Jan M L

2017-10-07

We have developed a new basis set family, denoted as aug-cc-pVnZ-F12 (or aVnZ-F12 for short), for explicitly correlated calculations. The sets included in this family were constructed by supplementing the corresponding cc-pVnZ-F12 sets with additional diffuse functions on the higher angular momenta (i.e., additional d-h functions on non-hydrogen atoms and p-g on hydrogen atoms), optimized for the MP2-F12 energy of the relevant atomic anions. The new basis sets have been benchmarked against electron affinities of the first- and second-row atoms, the W4-17 dataset of total atomization energies, the S66 dataset of noncovalent interactions, the Benchmark Energy and Geometry Data Base water cluster subset, and the WATER23 subset of the GMTKN24 and GMTKN30 benchmark suites. The aVnZ-F12 basis sets displayed excellent performance, not just for electron affinities but also for noncovalent interaction energies of neutral and anionic species. Appropriate CABSs (complementary auxiliary basis sets) were explored for the S66 noncovalent interaction benchmark: between similar-sized basis sets, CABSs were found to be more transferable than generally assumed.
Point Set Denoising Using Bootstrap-Based Radial Basis Function.

Science.gov (United States)

Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

2016-01-01

This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

Groebner basis, resultants and the generalized Mandelbrot set

Energy Technology Data Exchange (ETDEWEB)

Geum, Young Hee [Centre of Research for Computational Sciences and Informatics in Biology, Bioindustry, Environment, Agriculture and Healthcare, University of Malaya, 50603 Kuala Lumpur (Malaysia)], E-mail: conpana@empal.com; Hare, Kevin G. [Department of Pure Mathematics, University of Waterloo, Waterloo, Ont., N2L 3G1 (Canada)], E-mail: kghare@math.uwaterloo.ca

2009-10-30

This paper demonstrates how the Groebner basis algorithm can be used for finding the bifurcation points in the generalized Mandelbrot set. It also shows how resultants can be used to find components of the generalized Mandelbrot set.
Groebner basis, resultants and the generalized Mandelbrot set

International Nuclear Information System (INIS)

Geum, Young Hee; Hare, Kevin G.

2009-01-01

This paper demonstrates how the Groebner basis algorithm can be used for finding the bifurcation points in the generalized Mandelbrot set. It also shows how resultants can be used to find components of the generalized Mandelbrot set.
Localized atomic basis set in the projector augmented wave method

DEFF Research Database (Denmark)

Larsen, Ask Hjorth; Vanin, Marco; Mortensen, Jens Jørgen

2009-01-01

We present an implementation of localized atomic-orbital basis sets in the projector augmented wave (PAW) formalism within the density-functional theory. The implementation in the real-space GPAW code provides a complementary basis set to the accurate but computationally more demanding grid...
Point Set Denoising Using Bootstrap-Based Radial Basis Function.

Directory of Open Access Journals (Sweden)

Khang Jie Liew

Full Text Available This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.

Science.gov (United States)

Demichelis, Raffaella; Bruno, Marco; Massaro, Francesco R; Prencipe, Mauro; De La Pierre, Marco; Nestola, Fabrizio

2015-07-15

The seven main crystal surfaces of forsterite (Mg2 SiO4 ) were modeled using various Gaussian-type basis sets, and several formulations for the exchange-correlation functional within the density functional theory (DFT). The recently developed pob-TZVP basis set provides the best results for all properties that are strongly dependent on the accuracy of the wavefunction. Convergence on the structure and on the basis set superposition error-corrected surface energy can be reached also with poorer basis sets. The effect of adopting different DFT functionals was assessed. All functionals give the same stability order for the various surfaces. Surfaces do not exhibit any major structural differences when optimized with different functionals, except for higher energy orientations where major rearrangements occur around the Mg sites at the surface or subsurface. When dispersions are not accounted for, all functionals provide similar surface energies. The inclusion of empirical dispersions raises the energy of all surfaces by a nearly systematic value proportional to the scaling factor s of the dispersion formulation. An estimation for the surface energy is provided through adopting C6 coefficients that are more suitable than the standard ones to describe O-O interactions in minerals. A 2 × 2 supercell of the most stable surface (010) was optimized. No surface reconstruction was observed. The resulting structure and surface energy show no difference with respect to those obtained when using the primitive cell. This result validates the (010) surface model here adopted, that will serve as a reference for future studies on adsorption and reactivity of water and carbon dioxide at this interface. © 2015 Wiley Periodicals, Inc.
Dynamical pruning of static localized basis sets in time-dependent quantum dynamics

NARCIS (Netherlands)

McCormack, D.A.

2006-01-01

We investigate the viability of dynamical pruning of localized basis sets in time-dependent quantum wave packet methods. Basis functions that have a very small population at any given time are removed from the active set. The basis functions themselves are time independent, but the set of active
Working group 1A - basis for the standard-safety

International Nuclear Information System (INIS)

Whipple, C.

1993-01-01

This paper presents a summary of the progress made by working group 1A (Basis for the Safety Standard) during the Electric Power Research Institute's EPRI Workshop on the technical basis of EPA HLW Disposal Criteria, March 1993. This group discussed the semantics of terms within the standard 40 CFR Part 191, the implementation of this standard, the advanced notice of rulemaking, the issue of emitting carbon-14 through a gaseous pathway, the strategy of dealing with standards for contamination of drinking water and groundwater, the 100,000 year time frame, and the analysis of specific comments. The specific comments dealt with the cost effectiveness of the standard, the dose histogram for populations and individuals, groundwater definition and the underlying technology driver for this standard
Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

Science.gov (United States)

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.
Straightening the Hierarchical Staircase for Basis Set Extrapolations: A Low-Cost Approach to High-Accuracy Computational Chemistry

Science.gov (United States)

Varandas, António J. C.

2018-04-01

Because the one-electron basis set limit is difficult to reach in correlated post-Hartree-Fock ab initio calculations, the low-cost route of using methods that extrapolate to the estimated basis set limit attracts immediate interest. The situation is somewhat more satisfactory at the Hartree-Fock level because numerical calculation of the energy is often affordable at nearly converged basis set levels. Still, extrapolation schemes for the Hartree-Fock energy are addressed here, although the focus is on the more slowly convergent and computationally demanding correlation energy. Because they are frequently based on the gold-standard coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)], correlated calculations are often affordable only with the smallest basis sets, and hence single-level extrapolations from one raw energy could attain maximum usefulness. This possibility is examined. Whenever possible, this review uses raw data from second-order Møller-Plesset perturbation theory, as well as CCSD, CCSD(T), and multireference configuration interaction methods. Inescapably, the emphasis is on work done by the author's research group. Certain issues in need of further research or review are pinpointed.
On the performance of atomic natural orbital basis sets: A full configuration interaction study

International Nuclear Information System (INIS)

Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.

1990-01-01

The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets
Rough Standard Neutrosophic Sets: An Application on Standard Neutrosophic Information Systems

Directory of Open Access Journals (Sweden)

Nguyen Xuan Thao

2016-12-01

Full Text Available A rough fuzzy set is the result of the approximation of a fuzzy set with respect to a crisp approximation space. It is a mathematical tool for the knowledge discovery in the fuzzy information systems. In this paper, we introduce the concepts of rough standard neutrosophic sets and standard neutrosophic information system, and give some results of the knowledge discovery on standard neutrosophic information system based on rough standard neutrosophic sets.
Molecular basis sets - a general similarity-based approach for representing chemical spaces.

Science.gov (United States)

Raghavendra, Akshay S; Maggiora, Gerald M

2007-01-01

A new method, based on generalized Fourier analysis, is described that utilizes the concept of "molecular basis sets" to represent chemical space within an abstract vector space. The basis vectors in this space are abstract molecular vectors. Inner products among the basis vectors are determined using an ansatz that associates molecular similarities between pairs of molecules with their corresponding inner products. Moreover, the fact that similarities between pairs of molecules are, in essentially all cases, nonzero implies that the abstract molecular basis vectors are nonorthogonal, but since the similarity of a molecule with itself is unity, the molecular vectors are normalized to unity. A symmetric orthogonalization procedure, which optimally preserves the character of the original set of molecular basis vectors, is used to construct appropriate orthonormal basis sets. Molecules can then be represented, in general, by sets of orthonormal "molecule-like" basis vectors within a proper Euclidean vector space. However, the dimension of the space can become quite large. Thus, the work presented here assesses the effect of basis set size on a number of properties including the average squared error and average norm of molecular vectors represented in the space-the results clearly show the expected reduction in average squared error and increase in average norm as the basis set size is increased. Several distance-based statistics are also considered. These include the distribution of distances and their differences with respect to basis sets of differing size and several comparative distance measures such as Spearman rank correlation and Kruscal stress. All of the measures show that, even though the dimension can be high, the chemical spaces they represent, nonetheless, behave in a well-controlled and reasonable manner. Other abstract vector spaces analogous to that described here can also be constructed providing that the appropriate inner products can be directly
Setting the standard: The IAEA safety standards set the global reference

International Nuclear Information System (INIS)

Williams, L.

2003-01-01

For the IAEA, setting and promoting standards for nuclear radiation, waste, and transport safety have been priorities from the start, rooted in the Agency's 1957 Statute. Today, a corpus of international standards are in place that national regulators and industries in many countries are applying, and more are being encouraged and assisted to follow them. Considerable work is done to keep safety standards updated and authoritative. They cover five main areas: the safety of nuclear facilities; radiation protection and safety of radiation sources; safe management of radioactive waste; safe transport of radioactive material; and thematic safety areas, such as emergency preparedness or legal infrastructures. Overall, the safety standards reflect an international consensus on what constitutes a high level of safety for protecting people and the environment. All IAEA Member States can nominate experts for the Agency standards committees and provide comments on draft standards. Through this ongoing cycle of review and feedback, the standards are refined, updated, and extended where needed
Repeated Interaction in Standard Setting

NARCIS (Netherlands)

Larouche, Pierre; Schütt, Florian

2016-01-01

As part of the standard-setting process, certain patents become essential. This may allow the owners of these standard-essential patents to hold up implementers of the standard, who can no longer turn to substitute technologies. However, many real-world standards evolve over time, with several
Standard-Setting Methods as Measurement Processes

Science.gov (United States)

Nichols, Paul; Twing, Jon; Mueller, Canda D.; O'Malley, Kimberly

2010-01-01

Some writers in the measurement literature have been skeptical of the meaningfulness of achievement standards and described the standard-setting process as blatantly arbitrary. We argue that standard setting is more appropriately conceived of as a measurement process similar to student assessment. The construct being measured is the panelists'…
Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

Science.gov (United States)

Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

1990-01-01

New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.
Setting clear expectations for safety basis development

International Nuclear Information System (INIS)

MORENO, M.R.

2003-01-01

DOE-RL has set clear expectations for a cost-effective approach for achieving compliance with the Nuclear Safety Management requirements (10 CFR 830, Nuclear Safety Rule) which will ensure long-term benefit to Hanford. To facilitate implementation of these expectations, tools were developed to streamline and standardize safety analysis and safety document development resulting in a shorter and more predictable DOE approval cycle. A Hanford Safety Analysis and Risk Assessment Handbook (SARAH) was issued to standardized methodologies for development of safety analyses. A Microsoft Excel spreadsheet (RADIDOSE) was issued for the evaluation of radiological consequences for accident scenarios often postulated for Hanford. A standard Site Documented Safety Analysis (DSA) detailing the safety management programs was issued for use as a means of compliance with a majority of 3009 Standard chapters. An in-process review was developed between DOE and the Contractor to facilitate DOE approval and provide early course correction. As a result of setting expectations and providing safety analysis tools, the four Hanford Site waste management nuclear facilities were able to integrate into one Master Waste Management Documented Safety Analysis (WM-DSA)
Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.

Science.gov (United States)

Zaleśny, Robert; Baranowska-Łączkowska, Angelika; Medveď, Miroslav; Luis, Josep M

2015-09-08

In the present work, we perform an assessment of several property-oriented atomic basis sets in computing (hyper)polarizabilities with a focus on the vibrational contributions. Our analysis encompasses the Pol and LPol-ds basis sets of Sadlej and co-workers, the def2-SVPD and def2-TZVPD basis sets of Rappoport and Furche, and the ORP basis set of Baranowska-Łączkowska and Łączkowski. Additionally, we use the d-aug-cc-pVQZ and aug-cc-pVTZ basis sets of Dunning and co-workers to determine the reference estimates of the investigated electric properties for small- and medium-sized molecules, respectively. We combine these basis sets with ab initio post-Hartree-Fock quantum-chemistry approaches (including the coupled cluster method) to calculate electronic and nuclear relaxation (hyper)polarizabilities of carbon dioxide, formaldehyde, cis-diazene, and a medium-sized Schiff base. The primary finding of our study is that, among all studied property-oriented basis sets, only the def2-TZVPD and ORP basis sets yield nuclear relaxation (hyper)polarizabilities of small molecules with average absolute errors less than 5.5%. A similar accuracy for the nuclear relaxation (hyper)polarizabilites of the studied systems can also be reached using the aug-cc-pVDZ basis set (5.3%), although for more accurate calculations of vibrational contributions, i.e., average absolute errors less than 1%, the aug-cc-pVTZ basis set is recommended. It was also demonstrated that anharmonic contributions to first and second hyperpolarizabilities of a medium-sized Schiff base are particularly difficult to accurately predict at the correlated level using property-oriented basis sets. For instance, the value of the nuclear relaxation first hyperpolarizability computed at the MP2/def2-TZVPD level of theory is roughly 3 times larger than that determined using the aug-cc-pVTZ basis set. We link the failure of the def2-TZVPD basis set with the difficulties in predicting the first-order field
Standard setting: comparison of two methods.

Science.gov (United States)

George, Sanju; Haque, M Sayeed; Oyebode, Femi

2006-09-14

The outcome of assessments is determined by the standard-setting method used. There is a wide range of standard-setting methods and the two used most extensively in undergraduate medical education in the UK are the norm-reference and the criterion-reference methods. The aims of the study were to compare these two standard-setting methods for a multiple-choice question examination and to estimate the test-retest and inter-rater reliability of the modified Angoff method. The norm-reference method of standard-setting (mean minus 1 SD) was applied to the 'raw' scores of 78 4th-year medical students on a multiple-choice examination (MCQ). Two panels of raters also set the standard using the modified Angoff method for the same multiple-choice question paper on two occasions (6 months apart). We compared the pass/fail rates derived from the norm reference and the Angoff methods and also assessed the test-retest and inter-rater reliability of the modified Angoff method. The pass rate with the norm-reference method was 85% (66/78) and that by the Angoff method was 100% (78 out of 78). The percentage agreement between Angoff method and norm-reference was 78% (95% CI 69% - 87%). The modified Angoff method had an inter-rater reliability of 0.81-0.82 and a test-retest reliability of 0.59-0.74. There were significant differences in the outcomes of these two standard-setting methods, as shown by the difference in the proportion of candidates that passed and failed the assessment. The modified Angoff method was found to have good inter-rater reliability and moderate test-retest reliability.
A Comparison of the Behavior of Functional/Basis Set Combinations for Hydrogen-Bonding in the Water Dimer with Emphasis on Basis Set Superposition Error

OpenAIRE

Plumley, Joshua A.; Dannenberg, J. J.

2011-01-01

We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimenta...

Some considerations about Gaussian basis sets for electric property calculations

Science.gov (United States)

Arruda, Priscilla M.; Canal Neto, A.; Jorge, F. E.

Recently, segmented contracted basis sets of double, triple, and quadruple zeta valence quality plus polarization functions (XZP, X = D, T, and Q, respectively) for the atoms from H to Ar were reported. In this work, with the objective of having a better description of polarizabilities, the QZP set was augmented with diffuse (s and p symmetries) and polarization (p, d, f, and g symmetries) functions that were chosen to maximize the mean dipole polarizability at the UHF and UMP2 levels, respectively. At the HF and B3LYP levels of theory, electric dipole moment and static polarizability for a sample of molecules were evaluated. Comparison with experimental data and results obtained with a similar size basis set, whose diffuse functions were optimized for the ground state energy of the anion, was done.
Standard setting: Comparison of two methods

Directory of Open Access Journals (Sweden)

Oyebode Femi

2006-09-01

Full Text Available Abstract Background The outcome of assessments is determined by the standard-setting method used. There is a wide range of standard – setting methods and the two used most extensively in undergraduate medical education in the UK are the norm-reference and the criterion-reference methods. The aims of the study were to compare these two standard-setting methods for a multiple-choice question examination and to estimate the test-retest and inter-rater reliability of the modified Angoff method. Methods The norm – reference method of standard -setting (mean minus 1 SD was applied to the 'raw' scores of 78 4th-year medical students on a multiple-choice examination (MCQ. Two panels of raters also set the standard using the modified Angoff method for the same multiple-choice question paper on two occasions (6 months apart. We compared the pass/fail rates derived from the norm reference and the Angoff methods and also assessed the test-retest and inter-rater reliability of the modified Angoff method. Results The pass rate with the norm-reference method was 85% (66/78 and that by the Angoff method was 100% (78 out of 78. The percentage agreement between Angoff method and norm-reference was 78% (95% CI 69% – 87%. The modified Angoff method had an inter-rater reliability of 0.81 – 0.82 and a test-retest reliability of 0.59–0.74. Conclusion There were significant differences in the outcomes of these two standard-setting methods, as shown by the difference in the proportion of candidates that passed and failed the assessment. The modified Angoff method was found to have good inter-rater reliability and moderate test-retest reliability.
Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations.

Science.gov (United States)

Hellweg, Arnim; Rappoport, Dmitrij

2015-01-14

We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.
A Generalizability Theory Approach to Standard Error Estimates for Bookmark Standard Settings

Science.gov (United States)

Lee, Guemin; Lewis, Daniel M.

2008-01-01

The bookmark standard-setting procedure is an item response theory-based method that is widely implemented in state testing programs. This study estimates standard errors for cut scores resulting from bookmark standard settings under a generalizability theory model and investigates the effects of different universes of generalization and error…
Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation

International Nuclear Information System (INIS)

Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe; Head-Gordon, Teresa; Skylaris, Chris-Kriton; Head-Gordon, Martin

2016-01-01

Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set produces <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals.
Basis and rational for standardization in radiation protection

Energy Technology Data Exchange (ETDEWEB)

Besar, Idris

1985-08-01

The historical background for the standardization in radiation protection with special reference to the dose limits recommended by the ICRP which include tolerance dose, maximum permissible dose, and the present recommendation based on the ICRP 26 are presented. The basis and rational for the establishment of these limits are discussed.
Basis and rational for standardization in radiation protection

International Nuclear Information System (INIS)

Idris Besar

1985-01-01

The historical background for the standardization in radiation protection with special reference to the dose limits recommended by the ICRP which include tolerance dose, maximum permissible dose, and the present recommendation based on the ICRP 26 are presented. The basis and rational for the establishement of these limits are discussed
Incomplete basis-set problem. V. Application of CIBS to many-electron systems

International Nuclear Information System (INIS)

McDowell, K.; Lewis, L.

1982-01-01

Five versions of CIBS (corrections to an incomplete basis set) theory are used to compute first and second corrections to Roothaan--Hartree--Fock energies via expansion of a given basis set. Version one is an order by order perturbation approximation which neglects virtual orbitals; version two is a full CIBS expansion which neglects virtual orbitals; version three is an order by order perturbation approximation which includes virtual orbitals; version four is a full CIBS expansion which includes orthogonalization to virtual orbitals but neglects virtual orbital coupling terms; and version five is a full CIBS expansion with inclusion of coupling to virtual orbitals. Results are presented for the atomic and molecular systems He, Be, H 2 , LiH, Li 2 , and H 2 O. Version five is shown to produce a corrected Hartree--Fock energy which is essentially in agreement with a comparable SCF result using the same expanded basis set. Versions one through four yield varying degrees of agreement; however, it is evident that the effect of the virtual orbitals must be included. From the results, CIBS version five is shown to be a viable quantitative procedure which can be used to expand or to study the use of basis sets in quantum chemistry
Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules

International Nuclear Information System (INIS)

Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook; Kim, Woo Youn

2015-01-01

We developed a self-consistent field program based on Kohn-Sham density functional theory using Lagrange-sinc functions as a basis set and examined its numerical accuracy for atoms and molecules through comparison with the results of Gaussian basis sets. The result of the Kohn-Sham inversion formula from the Lagrange-sinc basis set manifests that the pseudopotential method is essential for cost-effective calculations. The Lagrange-sinc basis set shows faster convergence of the kinetic and correlation energies of benzene as its size increases than the finite difference method does, though both share the same uniform grid. Using a scaling factor smaller than or equal to 0.226 bohr and pseudopotentials with nonlinear core correction, its accuracy for the atomization energies of the G2-1 set is comparable to all-electron complete basis set limits (mean absolute deviation ≤1 kcal/mol). The same basis set also shows small mean absolute deviations in the ionization energies, electron affinities, and static polarizabilities of atoms in the G2-1 set. In particular, the Lagrange-sinc basis set shows high accuracy with rapid convergence in describing density or orbital changes by an external electric field. Moreover, the Lagrange-sinc basis set can readily improve its accuracy toward a complete basis set limit by simply decreasing the scaling factor regardless of systems
Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

Science.gov (United States)

Mitin, Alexander V

2013-09-05

The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.
Energy optimized Gaussian basis sets for the atoms T1 - Rn

International Nuclear Information System (INIS)

Faegri, K. Jr.

1987-01-01

Energy optimized Gaussian basis sets have been derived for the atoms Tl-Rn. Two sets are presented - a (20,16,10,6) set and a (22,17,13,8) set. The smallest sets yield atomic energies 107 to 123 mH above the numerical Hartree-Fock values, while the larger sets give energies 11 mH above the numerical results. Energy trends from the smaller sets indicate that reduced shielding by p-electrons may place a greater demand on the flexibility of d- and f-orbital description for the lighter elements of the series
Simulant Basis for the Standard High Solids Vessel Design

Energy Technology Data Exchange (ETDEWEB)

Peterson, Reid A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Fiskum, Sandra K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suffield, Sarah R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Daniel, Richard C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gauglitz, Phillip A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wells, Beric E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2017-09-30

The Waste Treatment and Immobilization Plant (WTP) is working to develop a Standard High Solids Vessel Design (SHSVD) process vessel. To support testing of this new design, WTP engineering staff requested that a Newtonian simulant and a non-Newtonian simulant be developed that would represent the Most Adverse Design Conditions (in development) with respect to mixing performance as specified by WTP. The majority of the simulant requirements are specified in 24590-PTF-RPT-PE-16-001, Rev. 0. The first step in this process is to develop the basis for these simulants. This document describes the basis for the properties of these two simulant types. The simulant recipes that meet this basis will be provided in a subsequent document.
Conductance calculations with a wavelet basis set

DEFF Research Database (Denmark)

Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel

2003-01-01

We present a method based on density functional theory (DFT) for calculating the conductance of a phase-coherent system. The metallic contacts and the central region where the electron scattering occurs, are treated on the same footing taking their full atomic and electronic structure into account....... The linear-response conductance is calculated from the Green's function which is represented in terms of a system-independent basis set containing wavelets with compact support. This allows us to rigorously separate the central region from the contacts and to test for convergence in a systematic way...
Correlation consistent basis sets for lanthanides: The atoms La–Lu

Energy Technology Data Exchange (ETDEWEB)

Lu, Qing; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

2016-08-07

Using the 3rd-order Douglas-Kroll-Hess (DKH3) Hamiltonian, all-electron correlation consistent basis sets of double-, triple-, and quadruple-zeta quality have been developed for the lanthanide elements La through Lu. Basis sets designed for the recovery of valence correlation (defined here as 4f5s5p5d6s), cc-pVnZ-DK3, and outer-core correlation (valence + 4s4p4d), cc-pwCVnZ-DK3, are reported (n = D, T, and Q). Systematic convergence of both Hartree-Fock and correlation energies towards their respective complete basis set (CBS) limits are observed. Benchmark calculations of the first three ionization potentials (IPs) of La through Lu are reported at the DKH3 coupled cluster singles and doubles with perturbative triples, CCSD(T), level of theory, including effects of correlation down through the 4s electrons. Spin-orbit coupling is treated at the 2-component HF level. After extrapolation to the CBS limit, the average errors with respect to experiment were just 0.52, 1.14, and 4.24 kcal/mol for the 1st, 2nd, and 3rd IPs, respectively, compared to the average experimental uncertainties of 0.03, 1.78, and 2.65 kcal/mol, respectively. The new basis sets are also used in CCSD(T) benchmark calculations of the equilibrium geometries, atomization energies, and heats of formation for Gd{sub 2}, GdF, and GdF{sub 3}. Except for the equilibrium geometry and harmonic frequency of GdF, which are accurately known from experiment, all other calculated quantities represent significant improvements compared to the existing experimental quantities. With estimated uncertainties of about ±3 kcal/mol, the 0 K atomization energies (298 K heats of formation) are calculated to be (all in kcal/mol): 33.2 (160.1) for Gd{sub 2}, 151.7 (−36.6) for GdF, and 447.1 (−295.2) for GdF{sub 3}.
Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields

Science.gov (United States)

Zhu, Wuming; Trickey, S. B.

2017-12-01

In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li+, Be+, and B+, in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.
Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields.

Science.gov (United States)

Zhu, Wuming; Trickey, S B

2017-12-28

In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li + , Be + , and B + , in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B
Current-voltage curves for molecular junctions computed using all-electron basis sets

International Nuclear Information System (INIS)

Bauschlicher, Charles W.; Lawson, John W.

2006-01-01

We present current-voltage (I-V) curves computed using all-electron basis sets on the conducting molecule. The all-electron results are very similar to previous results obtained using effective core potentials (ECP). A hybrid integration scheme is used that keeps the all-electron calculations cost competitive with respect to the ECP calculations. By neglecting the coupling of states to the contacts below a fixed energy cutoff, the density matrix for the core electrons can be evaluated analytically. The full density matrix is formed by adding this core contribution to the valence part that is evaluated numerically. Expanding the definition of the core in the all-electron calculations significantly reduces the computational effort and, up to biases of about 2 V, the results are very similar to those obtained using more rigorous approaches. The convergence of the I-V curves and transmission coefficients with respect to basis set is discussed. The addition of diffuse functions is critical in approaching basis set completeness
The standard set game of a cooperative game

NARCIS (Netherlands)

Bumb, A.F.; Hoede, C.

2003-01-01

We show that for every cooperative game a corresponding set game can be defined, called the standard set game. Values for set games can be applied to this standard game and determine allocations for the cooperative game. On the other hand, notions for cooperative games, like the Shapley value, the
Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

Science.gov (United States)

Hill, J. Grant; Peterson, Kirk A.

2017-12-01

New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.
Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

Science.gov (United States)

Hill, J Grant; Peterson, Kirk A

2017-12-28

New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

Localized orbitals vs. pseudopotential-plane waves basis sets: performances and accuracy for molecular magnetic systems

CERN Document Server

Massobrio, C

2003-01-01

Density functional theory, in combination with a) a careful choice of the exchange-correlation part of the total energy and b) localized basis sets for the electronic orbital, has become the method of choice for calculating the exchange-couplings in magnetic molecular complexes. Orbital expansion on plane waves can be seen as an alternative basis set especially suited to allow optimization of newly synthesized materials of unknown geometries. However, little is known on the predictive power of this scheme to yield quantitative values for exchange coupling constants J as small as a few hundredths of eV (50-300 cm sup - sup 1). We have used density functional theory and a plane waves basis set to calculate the exchange couplings J of three homodinuclear Cu-based molecular complexes with experimental values ranging from +40 cm sup - sup 1 to -300 cm sup - sup 1. The plane waves basis set proves as accurate as the localized basis set, thereby suggesting that this approach can be reliably employed to predict and r...
Localized orbitals vs. pseudopotential-plane waves basis sets: performances and accuracy for molecular magnetic systems

International Nuclear Information System (INIS)

Massobrio, C.; Ruiz, E.

2003-01-01

Density functional theory, in combination with a) a careful choice of the exchange-correlation part of the total energy and b) localized basis sets for the electronic orbital, has become the method of choice for calculating the exchange-couplings in magnetic molecular complexes. Orbital expansion on plane waves can be seen as an alternative basis set especially suited to allow optimization of newly synthesized materials of unknown geometries. However, little is known on the predictive power of this scheme to yield quantitative values for exchange coupling constants J as small as a few hundredths of eV (50-300 cm -1 ). We have used density functional theory and a plane waves basis set to calculate the exchange couplings J of three homodinuclear Cu-based molecular complexes with experimental values ranging from +40 cm -1 to -300 cm -1 . The plane waves basis set proves as accurate as the localized basis set, thereby suggesting that this approach can be reliably employed to predict and rationalize the magnetic properties of molecular-based materials. (author)
Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters

International Nuclear Information System (INIS)

Souza, Fabio A. L. de; Jorge, Francisco E.

2013-01-01

A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)
Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters

Energy Technology Data Exchange (ETDEWEB)

Souza, Fabio A. L. de; Jorge, Francisco E., E-mail: jorge@cce.ufes.br [Departamento de Fisica, Universidade Federal do Espirito Santo, 29060-900 Vitoria-ES (Brazil)

2013-07-15

A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)
Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

Science.gov (United States)

Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

2015-08-07

A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods
Consistent structures and interactions by density functional theory with small atomic orbital basis sets

International Nuclear Information System (INIS)

Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

2015-01-01

A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT
Reliability and Validity of 10 Different Standard Setting Procedures.

Science.gov (United States)

Halpin, Glennelle; Halpin, Gerald

Research indicating that different cut-off points result from the use of different standard-setting techniques leaves decision makers with a disturbing dilemma: Which standard-setting method is best? This investigation of the reliability and validity of 10 different standard-setting approaches was designed to provide information that might help…
Construct Maps as a Foundation for Standard Setting

Science.gov (United States)

Wyse, Adam E.

2013-01-01

Construct maps are tools that display how the underlying achievement construct upon which one is trying to set cut-scores is related to other information used in the process of standard setting. This article reviews what construct maps are, uses construct maps to provide a conceptual framework to view commonly used standard-setting procedures (the…
A Hartree–Fock study of the confined helium atom: Local and global basis set approaches

Energy Technology Data Exchange (ETDEWEB)

Young, Toby D., E-mail: tyoung@ippt.pan.pl [Zakład Metod Komputerowych, Instytut Podstawowych Prolemów Techniki Polskiej Akademia Nauk, ul. Pawińskiego 5b, 02-106 Warszawa (Poland); Vargas, Rubicelia [Universidad Autónoma Metropolitana Iztapalapa, División de Ciencias Básicas e Ingenierías, Departamento de Química, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, D.F. C.P. 09340, México (Mexico); Garza, Jorge, E-mail: jgo@xanum.uam.mx [Universidad Autónoma Metropolitana Iztapalapa, División de Ciencias Básicas e Ingenierías, Departamento de Química, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, D.F. C.P. 09340, México (Mexico)

2016-02-15

Two different basis set methods are used to calculate atomic energy within Hartree–Fock theory. The first is a local basis set approach using high-order real-space finite elements and the second is a global basis set approach using modified Slater-type orbitals. These two approaches are applied to the confined helium atom and are compared by calculating one- and two-electron contributions to the total energy. As a measure of the quality of the electron density, the cusp condition is analyzed. - Highlights: • Two different basis set methods for atomic Hartree–Fock theory. • Galerkin finite element method and modified Slater-type orbitals. • Confined atom model (helium) under small-to-extreme confinement radii. • Detailed analysis of the electron wave-function and the cusp condition.
Continuum contributions to dipole oscillator-strength sum rules for hydrogen in finite basis sets

DEFF Research Database (Denmark)

Oddershede, Jens; Ogilvie, John F.; Sauer, Stephan P. A.

2017-01-01

Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases, but that the conver......Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases......, but that the convergence towards the final results with increasing excitation energies included in the sum over states is slower in the basis-set cases when we use the best basis. We argue also that this conclusion most likely holds also for larger atoms or molecules....
MRD-CI potential surfaces using balanced basis sets. IV. The H2 molecule and the H3 surface

International Nuclear Information System (INIS)

Wright, J.S.; Kruus, E.

1986-01-01

The utility of midbond functions in molecular calculations was tested in two cases where the correct results are known: the H 2 potential curve and the collinear H 3 potential surface. For H 2 , a variety of basis sets both with and without bond functions was compared to the exact nonrelativistic potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. It was found that optimally balanced basis sets at two levels of quality were the double zeta single polarization plus sp bond function basis (BF1) and the triple zeta double polarization plus two sets of sp bond function basis (BF2). These gave bond dissociation energies D/sub e/ = 4.7341 and 4.7368 eV, respectively (expt. 4.7477 eV). Four basis sets were tested for basis set superposition errors, which were found to be small relative to basis set incompleteness and therefore did not affect any conclusions regarding basis set balance. Basis sets BF1 and BF2 were used to construct potential surfaces for collinear H 3 , along with the corresponding basis sets DZ*P and TZ*PP which contain no bond functions. Barrier heights of 12.52, 10.37, 10.06, and 9.96 kcal/mol were obtained for basis sets DZ*P, TZ*PP, BF1, and BF2, respectively, compared to an estimated limiting value of 9.60 kcal/mol. Difference maps, force constants, and relative rms deviations show that the bond functions improve the surface shape as well as the barrier height
New basis set for the prediction of the specific rotation in flexible biological molecules

DEFF Research Database (Denmark)

Baranowska-Łaczkowska, Angelika; Z. Łaczkowski, Krzysztof Z. Łaczkowski; Henriksen, Christian

2016-01-01

are compared to those obtained with the (d-)aug-cc-pVXZ (X = D, T and Q) basis sets of Dunning et al. The ORP values are in good overall agreement with the aug-cc-pVTZ results making the ORP a good basis set for routine TD-DFT optical rotation calculations of conformationally flexible molecules. The results...
A two-center-oscillator-basis as an alternative set for heavy ion processes

International Nuclear Information System (INIS)

Tornow, V.; Reinhard, P.G.; Drechsel, D.

1977-01-01

The two-center-oscillator-basis, which is constructed from harmonic oscillator wave functions developing about two different centers, suffers from numerical problems at small center separations due to the overcompleteness of the set. In order to overcome these problems we admix higer oscillator wave functions before the orthogonalization, or antisymmetrization resp. This yields a numerically stable basis set at each center separation. The results obtained for the potential energy suface are comparable with the results of more elaborate models. (orig.) [de
Magnetic anisotropy basis sets for epitaxial (110) and (111) REFe2 nanofilms

International Nuclear Information System (INIS)

Bowden, G J; Martin, K N; Fox, A; Rainford, B D; Groot, P A J de

2008-01-01

Magnetic anisotropy basis sets for the cubic Laves phase rare earth intermetallic REFe 2 compounds are discussed in some detail. Such compounds can be either free standing, or thin films grown in either (110) or (111) mode using molecular beam epitaxy. For the latter, it is useful to rotate to a new coordinate system where the z-axis coincides with the growth axes of the film. In this paper, three symmetry adapted basis sets are given, for multi-pole moments up to n = 12. These sets can be used for free-standing compounds and for (110) and (111) epitaxial films. In addition, the distortion of REFe 2 films, grown on sapphire substrates, is also considered. The distortions are different for the (110) and (111) films. Strain-induced harmonic sets are given for both specific and general distortions. Finally, some predictions are made concerning the preferred direction of easy magnetization in (111) molecular beam epitaxy grown REFe 2 films
Distinguishing the elements of a full product basis set needs only projective measurements and classical communication

International Nuclear Information System (INIS)

Chen Pingxing; Li Chengzu

2004-01-01

Nonlocality without entanglement is an interesting field. A manifestation of quantum nonlocality without entanglement is the possible local indistinguishability of orthogonal product states. In this paper we analyze the character of operators to distinguish the elements of a full product basis set in a multipartite system, and show that distinguishing perfectly these product bases needs only local projective measurements and classical communication, and these measurements cannot damage each product basis. Employing these conclusions one can discuss local distinguishability of the elements of any full product basis set easily. Finally we discuss the generalization of these results to the locally distinguishability of the elements of incomplete product basis set
7 CFR 28.107 - Original cotton standards and reserve sets.

Science.gov (United States)

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Original cotton standards and reserve sets. 28.107... Standards Act Practical Forms of Cotton Standards § 28.107 Original cotton standards and reserve sets. (a) The containers of the original Universal Standards and other official cotton standards of the United...
Working group 1B - basis for the standard-liquid pathway

International Nuclear Information System (INIS)

Budnitz, R.

1993-01-01

This paper presents a summary of the progress made by working group 1B (Basis for the Standard-Liquid Pathway) during the Electric Power Research Institute's EPRI Workshop on the technical basis of EPA HLW Disposal Criteria, March 1993. This group discussed the containment requirements of Environmental Protection Agency (EPA) standard 40 CFR Part 191. This is a major issue when considering the liquid pathway of contamination during the disposal of high-level radioactive wastes. Questions that were raised by this group were (1) What were the problems with Table 1 of 40 CFR Part 191?; (2) What would be fixed with the person-rem alternative that is offered?; and (3) What would be fixed if Table 1 were supplemented with additional columns for other pathways? Other topics that were touched on were the definition of the term open-quotes reasonable expectationsclose quotes and 100,000 year criteria
On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide

Science.gov (United States)

Szarecka, A.; Day, G.; Grout, P. J.; Wilson, S.

Ab initio quantum chemical calculations have been used to study the differences in energy between two gas phase conformers of the 2-hydroxy-acetamide molecule that possess intramolecular hydrogen bonding. In particular, rotation around the central C-C bond has been considered as a factor determining the structure of the hydrogen bond and stabilization of the conformer. Energy calculations include full geometiy optimization using both the restricted matrix Hartree-Fock model and second-order many-body perturbation theory with a number of commonly used basis sets. The basis sets employed ranged from the minimal STO-3G set to [`]split-valence' sets up to 6-31 G. The effects of polarization functions were also studied. The results display a strong basis set dependence.
Quality of Gaussian basis sets: direct optimization of orbital exponents by the method of conjugate gradients

International Nuclear Information System (INIS)

Kari, R.E.; Mezey, P.G.; Csizmadia, I.G.

1975-01-01

Expressions are given for calculating the energy gradient vector in the exponent space of Gaussian basis sets and a technique to optimize orbital exponents using the method of conjugate gradients is described. The method is tested on the (9/sups/5/supp/) Gaussian basis space and optimum exponents are determined for the carbon atom. The analysis of the results shows that the calculated one-electron properties converge more slowly to their optimum values than the total energy converges to its optimum value. In addition, basis sets approximating the optimum total energy very well can still be markedly improved for the prediction of one-electron properties. For smaller basis sets, this improvement does not warrant the necessary expense
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu

NARCIS (Netherlands)

Dyall, K.G.; Gomes, A.S.P.; Visscher, L.

2010-01-01

Relativistic basis sets of double-zeta, triple-zeta, and quadruple-zeta quality have been optimized for the lanthanide elements La-Lu. The basis sets include SCF exponents for the occupied spinors and for the 6p shell, exponents of correlating functions for the valence shells (4f, 5d and 6s) and the

An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

Energy Technology Data Exchange (ETDEWEB)

Borges, A.; Solomon, G. C. [Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark)

2016-05-21

Single molecule conductance measurements are often interpreted through computational modeling, but the complexity of these calculations makes it difficult to directly link them to simpler concepts and models. Previous work has attempted to make this connection using maximally localized Wannier functions and symmetry adapted basis sets, but their use can be ambiguous and non-trivial. Starting from a Hamiltonian and overlap matrix written in a hydrogen-like basis set, we demonstrate a simple approach to obtain a new basis set that is chemically more intuitive and allows interpretation in terms of simple concepts and models. By diagonalizing the Hamiltonians corresponding to each atom in the molecule, we obtain a basis set that can be partitioned into pseudo-σ and −π and allows partitioning of the Landuaer-Büttiker transmission as well as create simple Hückel models that reproduce the key features of the full calculation. This method provides a link between complex calculations and simple concepts and models to provide intuition or extract parameters for more complex model systems.
Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

Czech Academy of Sciences Publication Activity Database

Csonka, G. I.; Kaminský, Jakub

2011-01-01

Roč. 7, č. 4 (2011), s. 988-997 ISSN 1549-9618 Institutional research plan: CEZ:AV0Z40550506 Keywords : MP2 * basis set extrapolation * saccharides Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.215, year: 2011
Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

Energy Technology Data Exchange (ETDEWEB)

Sorella, S., E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), Via Beirut 2-4, 34014 Trieste, Italy and INFM Democritos National Simulation Center, Trieste (Italy); Devaux, N.; Dagrada, M., E-mail: mario.dagrada@impmc.upmc.fr [Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Mazzola, G., E-mail: gmazzola@phys.ethz.ch [Theoretische Physik, ETH Zurich, 8093 Zurich (Switzerland); Casula, M., E-mail: michele.casula@impmc.upmc.fr [CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

2015-12-28

We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wave function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.
Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2

DEFF Research Database (Denmark)

Silva-Junior, Mario R.; Sauer, Stephan P. A.; Schreiber, Marko

2010-01-01

Vertical electronic excitation energies and one-electron properties of 28 medium-sized molecules from a previously proposed benchmark set are revisited using the augmented correlation-consistent triple-zeta aug-cc-pVTZ basis set in CC2, CCSDR(3), and CC3 calculations. The results are compared...... to those obtained previously with the smaller TZVP basis set. For each of the three coupled cluster methods, a correlation coefficient greater than 0.994 is found between the vertical excitation energies computed with the two basis sets. The deviations of the CC2 and CCSDR(3) results from the CC3 reference...... values are very similar for both basis sets, thus confirming previous conclusions on the intrinsic accuracy of CC2 and CCSDR(3). This similarity justifies the use of CC2- or CCSDR(3)-based corrections to account for basis set incompleteness in CC3 studies of vertical excitation energies. For oscillator...
Adopting Cut Scores: Post-Standard-Setting Panel Considerations for Decision Makers

Science.gov (United States)

Geisinger, Kurt F.; McCormick, Carina M.

2010-01-01

Standard-setting studies utilizing procedures such as the Bookmark or Angoff methods are just one component of the complete standard-setting process. Decision makers ultimately must determine what they believe to be the most appropriate standard or cut score to use, employing the input of the standard-setting panelists as one piece of information…
Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

International Nuclear Information System (INIS)

Woon, D.E.; Dunning, T.H. Jr.

1994-01-01

An accurate description of the electrical properties of atoms and molecules is critical for quantitative predictions of the nonlinear properties of molecules and of long-range atomic and molecular interactions between both neutral and charged species. We report a systematic study of the basis sets required to obtain accurate correlated values for the static dipole (α 1 ), quadrupole (α 2 ), and octopole (α 3 ) polarizabilities and the hyperpolarizability (γ) of the rare gas atoms He, Ne, and Ar. Several methods of correlation treatment were examined, including various orders of Moller--Plesset perturbation theory (MP2, MP3, MP4), coupled-cluster theory with and without perturbative treatment of triple excitations [CCSD, CCSD(T)], and singles and doubles configuration interaction (CISD). All of the basis sets considered here were constructed by adding even-tempered sets of diffuse functions to the correlation consistent basis sets of Dunning and co-workers. With multiply-augmented sets we find that the electrical properties of the rare gas atoms converge smoothly to values that are in excellent agreement with the available experimental data and/or previously computed results. As a further test of the basis sets presented here, the dipole polarizabilities of the F - and Cl - anions and of the HCl and N 2 molecules are also reported
The Raman Spectrum of the Squarate (C4O4-2 Anion: An Ab Initio Basis Set Dependence Study

Directory of Open Access Journals (Sweden)

Miranda Sandro G. de

2002-01-01

Full Text Available The Raman excitation profile of the squarate anion, C4O4-2 , was calculated using ab initio methods at the Hartree-Fock using Linear Response Theory (LRT for six excitation frequencies: 632.5, 514.5, 488.0, 457.9, 363.8 and 337.1 nm. Five basis set functions (6-31G*, 6-31+G*, cc-pVDZ, aug-cc-pVDZ and Sadlej's polarizability basis set were investigated aiming to evaluate the performance of the 6-31G* set for numerical convergence and computational cost in relation to the larger basis sets. All basis sets reproduce the main spectroscopic features of the Raman spectrum of this anion for the excitation interval investigated. The 6-31G* basis set presented, on average, the same accuracy of numerical results as the larger sets but at a fraction of the computational cost showing that it is suitable for the theoretical investigation of the squarate dianion and its complexes and derivatives.
Investigating the Decision-Making Process of Standard Setting Participants

Science.gov (United States)

Papageorgiou, Spiros

2010-01-01

Despite the growing interest of the language testing community in standard setting, primarily due to the use of the Common European Framework of Reference (CEFR-Council of Europe, 2001), the participants' decision-making process in the CEFR standard setting context remains unexplored. This study attempts to fill in this gap by analyzing these…
University energy management improvement on basis of standards and digital technologies

Directory of Open Access Journals (Sweden)

Novikova Olga

2018-01-01

Full Text Available Nowadays to implement the energy management system it is important to fulfill not only the legal requirements but also to follow the set of recommendations prepared by international and national management standards. The purpose of this article is to prepare the concept and methodology for the optimization and improvement of the energy management system (EMS for Universities with implementation of legal requirements and recommendations from international and national management standards with the help of digital technologies. During the research the systematic analysis, complex approach, logical sampling and analogy were used. It is shown that this process should be done with the help of the process-based approach, in accordance with ISO 9001, and energy management ISO 50001. The authors developed the structure of the basic standard of energy management: "Guidelines for the energy management system". It is proved that the involvement of the technical senior students in the project of EMS improvement allows to expand their competencies for new technics and technologies. Cloud service Bitrix24 was chosen for IT-support of the project. During the study, a list of characteristics was used as a basis for creating a query to the technology department of the university. DBMS Microsoft Access was chosen for its creation. In addition, the possible results of initiating a single database containing all the information needed for accounting and control of energy supply were listed. Moreover, the possibility of automated energy management system implementation and its results were considered. The required actions described in this research can be implemented in any University, that will extend energy management to any University worldwide.
Features of standardized nursing terminology sets in Japan.

Science.gov (United States)

Sagara, Kaoru; Abe, Akinori; Ozaku, Hiromi Itoh; Kuwahara, Noriaki; Kogure, Kiyoshi

2006-01-01

This paper reports the features and relationships between standardizes nursing terminology sets used in Japan. First, we analyzed the common parts in five standardized nursing terminology sets: the Japan Nursing Practice Standard Master (JNPSM) that includes the names of nursing activities and is built by the Medical Information Center Development Center (MEDIS-DC); the labels of the Japan Classification of Nursing Practice (JCNP), built by the term advisory committee in the Japan Academy of Nursing Science; the labels of the International Classification for Nursing Practice (ICNP) translated to Japanese; the labels, domain names, and class names of the North American Nursing Diagnosis Association (NANDA) Nursing Diagnoses 2003-2004 translated to Japanese; and the terms included in the labels of Nursing Interventions Classification (NIC) translated to Japanese. Then we compared them with terms in a thesaurus dictionary, the Bunrui Goihyo, that contains general Japanese words and is built by the National Institute for Japanese Language. 1) the level of interchangeability between four standardized nursing terminology sets is quite low; 2) abbreviations and katakana words are frequently used to express nursing activities; 3) general Japanese words are usually used to express the status or situation of patients.
Strategies for reducing basis set superposition error (BSSE) in O/AU and O/Ni

KAUST Repository

Shuttleworth, I.G.

2015-01-01

© 2015 Elsevier Ltd. All rights reserved. The effect of basis set superposition error (BSSE) and effective strategies for the minimisation have been investigated using the SIESTA-LCAO DFT package. Variation of the energy shift parameter ΔEPAO has been shown to reduce BSSE for bulk Au and Ni and across their oxygenated surfaces. Alternative strategies based on either the expansion or contraction of the basis set have been shown to be ineffective in reducing BSSE. Comparison of the binding energies for the surface systems obtained using LCAO were compared with BSSE-free plane wave energies.
Strategies for reducing basis set superposition error (BSSE) in O/AU and O/Ni

KAUST Repository

Shuttleworth, I.G.

2015-11-01

© 2015 Elsevier Ltd. All rights reserved. The effect of basis set superposition error (BSSE) and effective strategies for the minimisation have been investigated using the SIESTA-LCAO DFT package. Variation of the energy shift parameter ΔEPAO has been shown to reduce BSSE for bulk Au and Ni and across their oxygenated surfaces. Alternative strategies based on either the expansion or contraction of the basis set have been shown to be ineffective in reducing BSSE. Comparison of the binding energies for the surface systems obtained using LCAO were compared with BSSE-free plane wave energies.
Standard setting in medical education: fundamental concepts and emerging challenges.

Science.gov (United States)

Mortaz Hejri, Sara; Jalili, Mohammad

2014-01-01

The process of determining the minimum pass level to separate the competent students from those who do not perform well enough is called standard setting. A large number of methods are widely used to set cut-scores for both written and clinical examinations. There are some challenging issues pertaining to any standard setting procedure. Ignoring these concerns would result in a large dispute regarding the credibility and defensibility of the method. The goal of this review is to provide a basic understanding of the key concepts and challenges in standard setting and to suggest some recommendations to overcome the challenging issues for educators and policymakers who are dealing with decision-making in this field.
Setting standards to determine core clerkship grades in pediatrics.

Science.gov (United States)

Dudas, Robert A; Barone, Michael A

2014-01-01

One of the greatest challenges for clerkship directors is assigning a final grade and determining the precise point at which a student either passes or fails a clinical clerkship. The process of incorporating both subjective and objective assessment data to provide a final summative grade can be challenging. We describe our experience conducting a standard-setting exercise to set defensible cut points in a 4-tiered grading system in our pediatric clerkship. Using the Hofstee standard-setting approach, 8 faculty members participated in an exercise to establish grade cut points. These faculty members were subsequently surveyed to assess their attitudes toward the standard-setting process as well as their reactions to these newly proposed standards. We applied the new cut points to a historic cohort of 116 Johns Hopkins University School of Medicine students from the academic year 2012-2013 to assess the potential impact on grade distributions. The resultant grading schema would lead to a significant increase in the number of students receiving a failing grade and a decrease in the number of students receiving a grade of honors in a historical cohort. Faculty reported that the Hofstee method was easy to understand and fair. All faculty members thought that grade inflation presently exists within the pediatric clerkship. This study demonstrates that practical standards using the Hofstee method can be set for medical students in a pediatric clerkship in which multiple performance measures are used. Copyright © 2014 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.
Ab initio localized basis set study of structural parameters and elastic properties of HfO2 polymorphs

International Nuclear Information System (INIS)

Caravaca, M A; Casali, R A

2005-01-01

The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2 1 /c, Pbca, Pnma, Fm3m, P4 2 nmc and Pa3 phases of HfO 2 . Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2 1 /c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2 1 /c → Pbca and Pbca → Pnma, respectively, in accordance with different high pressure experimental values
Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

International Nuclear Information System (INIS)

Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon

2015-01-01

The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF − and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN + , and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects
Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

Energy Technology Data Exchange (ETDEWEB)

Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave., Urbana, Illinois 61801 (United States)

2015-06-07

The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF{sup −} and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN{sup +}, and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects.
Earnings Management and Participation in Accounting Standard-Setting

NARCIS (Netherlands)

Koenigsgruber, R.; Palan, S.

2015-01-01

Recent economic and political science research suggests that the way public policy is set, and in particular the participation of those affected by it, impacts upon the outcome of the policy. Accounting standard setting has long offered such a possibility to participate via the due process approach
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

Energy Technology Data Exchange (ETDEWEB)

Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2016-05-21

With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.
On the use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings

DEFF Research Database (Denmark)

Hedegård, Erik D.; Sauer, Stephan P. A.; Milhøj, Birgitte O.

2013-01-01

The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c......The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site...

On the use of locally dense basis sets in the calculation of EPR hyperfine couplings

DEFF Research Database (Denmark)

Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.

2013-01-01

The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c......The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site...
Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.

Science.gov (United States)

Feng, Rulin; Peterson, Kirk A

2017-08-28

New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO 2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP 0 for PuO 2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal
[Study on standardization of cupping technique: elucidation on the establishment of the National Standard Standardized Manipulation of Acupuncture and Moxibustion, Part V, Cupping].

Science.gov (United States)

Gao, Shu-zhong; Liu, Bing

2010-02-01

From the aspects of basis, technique descriptions, core contents, problems and solutions, and standard thinking in standard setting process, this paper states experiences in the establishment of the national standard Standardized Manipulation of Acupuncture and Moxibustion, Part V, Cupping, focusing on methodologies used in cupping standard setting process, the method selection and operating instructions of cupping standardization, and the characteristics of standard TCM. In addition, this paper states the scope of application, and precautions for this cupping standardization. This paper also explaines tentative ideas on the research of standardized manipulation of acupuncture and moxibustion.
The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths

DEFF Research Database (Denmark)

Cabrera-Trujillo, Remigio; Sabin, John R.; Oddershede, Jens

1999-01-01

Fulfillment of the Bethe sum rule may be construed as a measure of basis set quality for atomic and molecular properties involving the generalized oscillator strength distribution. It is first shown that, in the case of a complete basis, the Bethe sum rule is fulfilled exactly in the random phase...
Reduced nicotine product standards for combustible tobacco: building an empirical basis for effective regulation.

Science.gov (United States)

Donny, Eric C; Hatsukami, Dorothy K; Benowitz, Neal L; Sved, Alan F; Tidey, Jennifer W; Cassidy, Rachel N

2014-11-01

Both the Tobacco Control Act in the U.S. and Article 9 of the Framework Convention on Tobacco Control enable governments to directly address the addictiveness of combustible tobacco by reducing nicotine through product standards. Although nicotine may have some harmful effects, the detrimental health effects of smoked tobacco are primarily due to non-nicotine constituents. Hence, the health effects of nicotine reduction would likely be determined by changes in behavior that result in changes in smoke exposure. Herein, we review the current evidence on nicotine reduction and discuss some of the challenges in establishing the empirical basis for regulatory decisions. To date, research suggests that very low nicotine content cigarettes produce a desirable set of outcomes, including reduced exposure to nicotine, reduced smoking, and reduced dependence, without significant safety concerns. However, much is still unknown, including the effects of gradual versus abrupt changes in nicotine content, effects in vulnerable populations, and impact on youth. A coordinated effort must be made to provide the best possible scientific basis for regulatory decisions. The outcome of this effort may provide the foundation for a novel approach to tobacco control that dramatically reduces the devastating health consequences of smoked tobacco. Copyright © 2014 Elsevier Inc. All rights reserved.
Setting the bar: Standards for ecosystem services

CSIR Research Space (South Africa)

Polasky, S

2015-06-01

Full Text Available to specific use contexts, such as national income and wealth accounts, corporate sustainability reporting, land-use planning, and environmental impact assessments. Many standard-setting organizations already exist, and the research community will make the most...
Internal emitter research and standard setting

International Nuclear Information System (INIS)

Stannard, J.N.

1981-01-01

The history of the use of data from internal emitter research in the derivation of safety standards is reviewed. At first, observed biological effects were correlated with body burdens or exposure levels. This direct approach is illustrated by detailed accounts of the cases of uranium and plutonium. In the 1950's, when it was decided to provide standards for over 200 isotopes, the direct approach was replaced by a system of calculations. This necessitated changes in internal emitter research programs to provide metabolic data, and the development of models such as Reference Man and the Lung and Gastrointestinal Tract models. The continuing contribution of internal emitter research to standard setting can be seen in the references quoted in the metabolic data section of the new ICRP report (ICRP Publication 30). Present trends suggest a possible return to the direct use of internal emitter effects data for obtaining risk estimates. (U.K.)
A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

Science.gov (United States)

Kruse, Holger; Grimme, Stefan

2012-04-01

A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model
A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems.

Science.gov (United States)

Kruse, Holger; Grimme, Stefan

2012-04-21

A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model
Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations

DEFF Research Database (Denmark)

Kupka, Teobald; Stachów, Michal; Kaminsky, Jakub

2013-01-01

, estimated from calculations with the family of polarizationconsistent pcS-n basis sets is reported. This dependence was also supported by inspection of profiles of deviation between CBS estimated nuclear shieldings and obtained with significantly smaller basis sets pcS-2 and aug-cc-pVTZ-J for the selected......A linear correlation between isotropic nuclear magnetic shielding constants for seven model molecules (CH2O, H2O, HF, F2, HCN, SiH4 and H2S) calculated with 37 methods (34 density functionals, RHF, MP2 and CCSD(T) ), with affordable pcS-2 basis set and corresponding complete basis set results...... set of 37 calculation methods. It was possible to formulate a practical approach of estimating the values of isotropic nuclear magnetic shielding constants at the CCSD(T)/CBS and MP2/CBS levels from affordable CCSD(T)/pcS-2, MP2/pcS-2 and DFT/CBS calculations with pcS-n basis sets. The proposed method...
Ab initio localized basis set study of structural parameters and elastic properties of HfO{sub 2} polymorphs

Energy Technology Data Exchange (ETDEWEB)

Caravaca, M A [Facultad de Ingenieria, Universidad Nacional del Nordeste, Avenida Las Heras 727, 3500-Resistencia (Argentina); Casali, R A [Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, Avenida Libertad, 5600-Corrientes (Argentina)

2005-09-21

The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2{sub 1}/c, Pbca, Pnma, Fm3m, P4{sub 2}nmc and Pa3 phases of HfO{sub 2}. Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2{sub 1}/c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2{sub 1}/c {yields} Pbca and Pbca {yields} Pnma, respectively, in accordance with different high pressure experimental values.
Basis set approach in the constrained interpolation profile method

International Nuclear Information System (INIS)

Utsumi, T.; Koga, J.; Yabe, T.; Ogata, Y.; Matsunaga, E.; Aoki, T.; Sekine, M.

2003-07-01

We propose a simple polynomial basis-set that is easily extendable to any desired higher-order accuracy. This method is based on the Constrained Interpolation Profile (CIP) method and the profile is chosen so that the subgrid scale solution approaches the real solution by the constraints from the spatial derivative of the original equation. Thus the solution even on the subgrid scale becomes consistent with the master equation. By increasing the order of the polynomial, this solution quickly converges. 3rd and 5th order polynomials are tested on the one-dimensional Schroedinger equation and are proved to give solutions a few orders of magnitude higher in accuracy than conventional methods for lower-lying eigenstates. (author)
Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set

NARCIS (Netherlands)

Paschoal, D.; Fonseca Guerra, C.; de Oliveira, M.A.L.; Ramalho, T.C.; Dos Santos, H.F.

2016-01-01

Predicting NMR properties is a valuable tool to assist the experimentalists in the characterization of molecular structure. For heavy metals, such as Pt-195, only a few computational protocols are available. In the present contribution, all-electron Gaussian basis sets, suitable to calculate the
Using PISA as an International Benchmark in Standard Setting.

Science.gov (United States)

Phillips, Gary W; Jiang, Tao

2015-01-01

This study describes how the Programme for International Student Assessment (PISA) can be used to internationally benchmark state performance standards. The process is accomplished in three steps. First, PISA items are embedded in the administration of the state assessment and calibrated on the state scale. Second, the international item calibrations are then used to link the state scale to the PISA scale through common item linking. Third, the statistical linking results are used as part of the state standard setting process to help standard setting panelists determine how high their state standards need to be in order to be internationally competitive. This process was carried out in Delaware, Hawaii, and Oregon, in three subjects-science, mathematics and reading with initial results reported by Phillips and Jiang (2011). An in depth discussion of methods and results are reported in this article for one subject (mathematics) and one state (Hawaii).
An operator basis for the Standard Model with an added scalar singlet

Energy Technology Data Exchange (ETDEWEB)

Gripaios, Ben [Cavendish Laboratory, J.J. Thomson Avenue, Cambridge (United Kingdom); Sutherland, Dave [Cavendish Laboratory, J.J. Thomson Avenue, Cambridge (United Kingdom); Kavli Institute for Theoretical Physics, UCSB Kohn Hall, Santa Barbara CA (United States)

2016-08-17

Motivated by the possible di-gamma resonance at 750 GeV, we present a basis of effective operators for the Standard Model plus a scalar singlet at dimensions 5, 6, and 7. We point out that an earlier list at dimensions 5 and 6 contains two redundant operators at dimension 5.
Science and trans-science in standard setting

International Nuclear Information System (INIS)

Majone, G.

1984-01-01

Standard-setting is a blending of scientific, trans-scientific, and political elements which result in a number of consequences. Health standards, for example, are influenced by biological and philosophical assumptions and scientific traditions, with the dose-response function treated as a trans-scientific question because of scientific uncertainties. Costs and benefits and other values besides health, safety, or environment also enter into the balancing of regulatory decisions and keep regulations from a purely scientific knowledge is desirable. Recommendations that industry be self-regulatory reflect a shift in emphasis from legal enforcement to information-based compliance
Radiological error: analysis, standard setting, targeted instruction and teamworking

International Nuclear Information System (INIS)

FitzGerald, Richard

2005-01-01

Diagnostic radiology does not have objective benchmarks for acceptable levels of missed diagnoses [1]. Until now, data collection of radiological discrepancies has been very time consuming. The culture within the specialty did not encourage it. However, public concern about patient safety is increasing. There have been recent innovations in compiling radiological interpretive discrepancy rates which may facilitate radiological standard setting. However standard setting alone will not optimise radiologists' performance or patient safety. We must use these new techniques in radiological discrepancy detection to stimulate greater knowledge sharing, targeted instruction and teamworking among radiologists. Not all radiological discrepancies are errors. Radiological discrepancy programmes must not be abused as an instrument for discrediting individual radiologists. Discrepancy rates must not be distorted as a weapon in turf battles. Radiological errors may be due to many causes and are often multifactorial. A systems approach to radiological error is required. Meaningful analysis of radiological discrepancies and errors is challenging. Valid standard setting will take time. Meanwhile, we need to develop top-up training, mentoring and rehabilitation programmes. (orig.)
Science and art of setting performance standards and cutoff scores in kinesiology.

Science.gov (United States)

Zhu, Weimo

2013-12-01

Setting standards and cutoff scores is essential to any measurement and evaluation practice. Two evaluation frameworks, norm-referenced (NR) and criterion-referenced (CR), have often been used for setting standards. Although setting fitness standards based on the NR evaluation is relatively easy as long as a nationally representative sample can be obtained and regularly updated, it has several limitations-namely, time dependency, population dependence, discouraging low-level performers, and favoring advantaged or punishing disadvantaged individuals. Fortunately, these limitations can be significantly eliminated by employing the CR evaluation, which was introduced to kinesiology by Safrit and colleagues in the 1980s and has been successfully applied to some practical problems (e.g., set health-related fitness standards for FITNESSGRAM). Yet, the CR evaluation has its own challenges, e.g., selecting an appropriate measure for a criterion behavior, when the expected relationship between the criterion behavior and a predictive measure is not clear, and when standards are not consistent among multiple field measures. Some of these challenges can be addressed by employing the latest statistical methods (e.g., test equating). This article provides a comprehensive review of the science and art of setting standards and cutoff scores in kinesiology. After a brief historical overview of the standard-setting practice in kinesiology is presented, a case analysis of a successful CR evaluation, along with related challenges, is described. Lessons learned from past and current practice as well as how to develop a defendable standard are described. Finally, future research needs and directions are outlined.
International Review of Frameworks for Standard Setting & Labeling Development

Energy Technology Data Exchange (ETDEWEB)

Zhou, Nan [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Khanna, Nina Zheng [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Fridley, David [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Romankiewicz, John [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2012-09-01

As appliance energy efficiency standards and labeling (S&L) programs reach a broader geographic and product scope, a series of sophisticated and complex technical and economic analyses have been adopted by different countries in the world to support and enhance these growing S&L programs. The initial supporting techno-economic and impact analyses for S&L development make up a defined framework and process for setting and developing appropriate appliance efficiency standards and labeling programs. This report reviews in-depth the existing framework for standards setting and label development in the well-established programs of the U.S., Australia and the EU to identify and evaluate major trends in how and why key analyses are undertaken and to understand major similarities and differences between each of the frameworks.
Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets

Science.gov (United States)

Monten, Ruben; Hajgató, Balázs; Deleuze, Michael S.

2011-10-01

The static dipole polarizabilities of Ne, CO, N2, F2, HF, H2O, HCN, and C2H2 (acetylene) have been determined close to the Full-CI limit along with an asymptotically complete basis set (CBS), according to the principles of a Focal Point Analysis. For this purpose the results of Finite Field calculations up to the level of Coupled Cluster theory including Single, Double, Triple, Quadruple and perturbative Pentuple excitations [CCSDTQ(P)] were used, in conjunction with suited extrapolations of energies obtained using augmented and doubly-augmented Dunning's correlation consistent polarized valence basis sets of improving quality. The polarizability characteristics of C2H4 (ethylene) and C2H6 (ethane) have been determined on the same grounds at the CCSDTQ level in the CBS limit. Comparison is made with results obtained using lower levels in electronic correlation, or taking into account the relaxation of the molecular structure due to an adiabatic polarization process. Vibrational corrections to electronic polarizabilities have been empirically estimated according to Born-Oppenheimer Molecular Dynamical simulations employing Density Functional Theory. Confrontation with experiment ultimately indicates relative accuracies of the order of 1 to 2%.

Geometrical basis for the Standard Model

Science.gov (United States)

Potter, Franklin

1994-02-01

The robust character of the Standard Model is confirmed. Examination of its geometrical basis in three equivalent internal symmetry spaces-the unitary plane C 2, the quaternion space Q, and the real space R 4—as well as the real space R 3 uncovers mathematical properties that predict the physical properties of leptons and quarks. The finite rotational subgroups of the gauge group SU(2) L × U(1) Y generate exactly three lepton families and four quark families and reveal how quarks and leptons are related. Among the physical properties explained are the mass ratios of the six leptons and eight quarks, the origin of the left-handed preference by the weak interaction, the geometrical source of color symmetry, and the zero neutrino masses. The ( u, d) and ( c, s) quark families team together to satisfy the triangle anomaly cancellation with the electron family, while the other families pair one-to-one for cancellation. The spontaneously broken symmetry is discrete and needs no Higgs mechanism. Predictions include all massless neutrinos, the top quark at 160 GeV/ c 2, the b' quark at 80 GeV/ c 2, and the t' quark at 2600 GeV/ c 2.
Standard Setting for the Extractive Industries: A Critical Examination

Directory of Open Access Journals (Sweden)

Corinne Cortese

2007-09-01

Full Text Available This study examines the players involved in the setting of an international accountingstandard for the extractive industries. Publicly available data is used to exposeconnections between key constituents involved in the process, to enhance understandingof how the international accounting standard setting process occurred, and to identifyfuture research possibilities.
An editor for the maintenance and use of a bank of contracted Gaussian basis set functions

International Nuclear Information System (INIS)

Taurian, O.E.

1984-01-01

A bank of basis sets to be used in ab-initio calculations has been created. The bases are sets of contracted Gaussian type orbitals to be used as input to any molecular integral package. In this communication we shall describe the organization of the bank and a portable editor program which was designed for its maintenance and use. This program is operated by commands and it may be used to obtain any kind of information about the bases in the bank as well as to produce output to be directly used as input for different integral programs. The editor may also be used to format basis sets in the conventional way utilized in publications, as well as to generate a complete, or partial, manual of the contents of the bank if so desired. (orig.)
State Standard-Setting Processes in Brief. State Academic Standards: Standard-Setting Processes

Science.gov (United States)

Thomsen, Jennifer

2014-01-01

Concerns about academic standards, whether created by states from scratch or adopted by states under the Common Core State Standards (CCSS) banner, have drawn widespread media attention and are at the top of many state policymakers' priority lists. Recently, a number of legislatures have required additional steps, such as waiting periods for…
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

Science.gov (United States)

Aquilante, Francesco; Gagliardi, Laura; Pedersen, Thomas Bondo; Lindh, Roland

2009-04-01

Cholesky decomposition of the atomic two-electron integral matrix has recently been proposed as a procedure for automated generation of auxiliary basis sets for the density fitting approximation [F. Aquilante et al., J. Chem. Phys. 127, 114107 (2007)]. In order to increase computational performance while maintaining accuracy, we propose here to reduce the number of primitive Gaussian functions of the contracted auxiliary basis functions by means of a second Cholesky decomposition. Test calculations show that this procedure is most beneficial in conjunction with highly contracted atomic orbital basis sets such as atomic natural orbitals, and that the error resulting from the second decomposition is negligible. We also demonstrate theoretically as well as computationally that the locality of the fitting coefficients can be controlled by means of the decomposition threshold even with the long-ranged Coulomb metric. Cholesky decomposition-based auxiliary basis sets are thus ideally suited for local density fitting approximations.
Core Outcome Set-STAndards for Development: The COS-STAD recommendations.

Directory of Open Access Journals (Sweden)

Jamie J Kirkham

2017-11-01

Full Text Available The use of core outcome sets (COS ensures that researchers measure and report those outcomes that are most likely to be relevant to users of their research. Several hundred COS projects have been systematically identified to date, but there has been no formal quality assessment of these studies. The Core Outcome Set-STAndards for Development (COS-STAD project aimed to identify minimum standards for the design of a COS study agreed upon by an international group, while other specific guidance exists for the final reporting of COS development studies (Core Outcome Set-STAndards for Reporting [COS-STAR].An international group of experienced COS developers, methodologists, journal editors, potential users of COS (clinical trialists, systematic reviewers, and clinical guideline developers, and patient representatives produced the COS-STAD recommendations to help improve the quality of COS development and support the assessment of whether a COS had been developed using a reasonable approach. An open survey of experts generated an initial list of items, which was refined by a 2-round Delphi survey involving nearly 250 participants representing key stakeholder groups. Participants assigned importance ratings for each item using a 1-9 scale. Consensus that an item should be included in the set of minimum standards was defined as at least 70% of the voting participants from each stakeholder group providing a score between 7 and 9. The Delphi survey was followed by a consensus discussion with the study management group representing multiple stakeholder groups. COS-STAD contains 11 minimum standards that are the minimum design recommendations for all COS development projects. The recommendations focus on 3 key domains: the scope, the stakeholders, and the consensus process.The COS-STAD project has established 11 minimum standards to be followed by COS developers when planning their projects and by users when deciding whether a COS has been developed using
Core Outcome Set-STAndards for Development: The COS-STAD recommendations.

Science.gov (United States)

Kirkham, Jamie J; Davis, Katherine; Altman, Douglas G; Blazeby, Jane M; Clarke, Mike; Tunis, Sean; Williamson, Paula R

2017-11-01

The use of core outcome sets (COS) ensures that researchers measure and report those outcomes that are most likely to be relevant to users of their research. Several hundred COS projects have been systematically identified to date, but there has been no formal quality assessment of these studies. The Core Outcome Set-STAndards for Development (COS-STAD) project aimed to identify minimum standards for the design of a COS study agreed upon by an international group, while other specific guidance exists for the final reporting of COS development studies (Core Outcome Set-STAndards for Reporting [COS-STAR]). An international group of experienced COS developers, methodologists, journal editors, potential users of COS (clinical trialists, systematic reviewers, and clinical guideline developers), and patient representatives produced the COS-STAD recommendations to help improve the quality of COS development and support the assessment of whether a COS had been developed using a reasonable approach. An open survey of experts generated an initial list of items, which was refined by a 2-round Delphi survey involving nearly 250 participants representing key stakeholder groups. Participants assigned importance ratings for each item using a 1-9 scale. Consensus that an item should be included in the set of minimum standards was defined as at least 70% of the voting participants from each stakeholder group providing a score between 7 and 9. The Delphi survey was followed by a consensus discussion with the study management group representing multiple stakeholder groups. COS-STAD contains 11 minimum standards that are the minimum design recommendations for all COS development projects. The recommendations focus on 3 key domains: the scope, the stakeholders, and the consensus process. The COS-STAD project has established 11 minimum standards to be followed by COS developers when planning their projects and by users when deciding whether a COS has been developed using reasonable
Performance assessment of density functional methods with Gaussian and Slater basis sets using 7σ orbital momentum distributions of N2O

Science.gov (United States)

Wang, Feng; Pang, Wenning; Duffy, Patrick

2012-12-01

Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the
American National Standard: nuclear data sets for reactor design calculations

International Nuclear Information System (INIS)

1983-01-01

This standard identifies and describes the specifications for developing, preparing, and documenting nuclear data sets to be used in reactor design calculations. The specifications include criteria for acceptance of evaluated nuclear data sets, criteria for processing evaluated data and preparation of processed continuous data and averaged data sets, and identification of specific evaluated, processed continuous, and averaged data sets which meet these criteria for specific reactor types
Systematic determination of extended atomic orbital basis sets and application to molecular SCF and MCSCF calculations

Energy Technology Data Exchange (ETDEWEB)

Feller, D.F.

1979-01-01

The behavior of the two exponential parameters in an even-tempered gaussian basis set is investigated as the set optimally approaches an integral transform representation of the radial portion of atomic and molecular orbitals. This approach permits a highly accurate assessment of the Hartree-Fock limit for atoms and molecules.
Setting standards and detecting intrajudge inconsistency using interdependent evaluation of response alternatives

NARCIS (Netherlands)

Chang, Lei; van der Linden, Willem J.; Vos, Hendrik J.

2004-01-01

This article introduces a new test-centered standard-setting method as well as a procedure to detect intrajudge inconsistency of the method. The standard-setting method that is based on interdependent evaluations of alternative responses has judges closely evaluate the process that examinees use to
Spectral properties of minimal-basis-set orbitals: Implications for molecular electronic continuum states

Science.gov (United States)

Langhoff, P. W.; Winstead, C. L.

Early studies of the electronically excited states of molecules by John A. Pople and coworkers employing ab initio single-excitation configuration interaction (SECI) calculations helped to simulate related applications of these methods to the partial-channel photoionization cross sections of polyatomic molecules. The Gaussian representations of molecular orbitals adopted by Pople and coworkers can describe SECI continuum states when sufficiently large basis sets are employed. Minimal-basis virtual Fock orbitals stabilized in the continuous portions of such SECI spectra are generally associated with strong photoionization resonances. The spectral attributes of these resonance orbitals are illustrated here by revisiting previously reported experimental and theoretical studies of molecular formaldehyde (H2CO) in combination with recently calculated continuum orbital amplitudes.
Sea ice in the Baltic Sea - revisiting BASIS ice, a~historical data set covering the period 1960/1961-1978/1979

Science.gov (United States)

Löptien, U.; Dietze, H.

2014-06-01

The Baltic Sea is a seasonally ice-covered, marginal sea, situated in central northern Europe. It is an essential waterway connecting highly industrialised countries. Because ship traffic is intermittently hindered by sea ice, the local weather services have been monitoring sea ice conditions for decades. In the present study we revisit a historical monitoring data set, covering the winters 1960/1961. This data set, dubbed Data Bank for Baltic Sea Ice and Sea Surface Temperatures (BASIS) ice, is based on hand-drawn maps that were collected and then digitised 1981 in a joint project of the Finnish Institute of Marine Research (today Finish Meteorological Institute (FMI)) and the Swedish Meteorological and Hydrological Institute (SMHI). BASIS ice was designed for storage on punch cards and all ice information is encoded by five digits. This makes the data hard to access. Here we present a post-processed product based on the original five-digit code. Specifically, we convert to standard ice quantities (including information on ice types), which we distribute in the current and free Network Common Data Format (NetCDF). Our post-processed data set will help to assess numerical ice models and provide easy-to-access unique historical reference material for sea ice in the Baltic Sea. In addition we provide statistics showcasing the data quality. The website www.baltic-ocean.org hosts the post-prossed data and the conversion code. The data are also archived at the Data Publisher for Earth & Environmental Science PANGEA (doi:10.1594/PANGEA.832353).
Sea ice in the Baltic Sea - revisiting BASIS ice, a historical data set covering the period 1960/1961-1978/1979

Science.gov (United States)

Löptien, U.; Dietze, H.

2014-12-01

The Baltic Sea is a seasonally ice-covered, marginal sea in central northern Europe. It is an essential waterway connecting highly industrialised countries. Because ship traffic is intermittently hindered by sea ice, the local weather services have been monitoring sea ice conditions for decades. In the present study we revisit a historical monitoring data set, covering the winters 1960/1961 to 1978/1979. This data set, dubbed Data Bank for Baltic Sea Ice and Sea Surface Temperatures (BASIS) ice, is based on hand-drawn maps that were collected and then digitised in 1981 in a joint project of the Finnish Institute of Marine Research (today the Finnish Meteorological Institute (FMI)) and the Swedish Meteorological and Hydrological Institute (SMHI). BASIS ice was designed for storage on punch cards and all ice information is encoded by five digits. This makes the data hard to access. Here we present a post-processed product based on the original five-digit code. Specifically, we convert to standard ice quantities (including information on ice types), which we distribute in the current and free Network Common Data Format (NetCDF). Our post-processed data set will help to assess numerical ice models and provide easy-to-access unique historical reference material for sea ice in the Baltic Sea. In addition we provide statistics showcasing the data quality. The website http://www.baltic-ocean.org hosts the post-processed data and the conversion code. The data are also archived at the Data Publisher for Earth & Environmental Science, PANGAEA (doi:10.1594/PANGAEA.832353).
American National Standard nuclear data sets for reactor design calculations

International Nuclear Information System (INIS)

Anon.

1975-01-01

A standard is presented which identifies and describes the specifications for developing, preparing, and documenting nuclear data sets to be used in reactor design calculations. The specifications include (a) criteria for acceptance of evaluated nuclear data sets, (b) criteria for processing evaluated data and preparation of processed continuous data and averaged data sets, and (c) identification of specific evaluated, processed continuous, and averaged data sets which meet these criteria for specific reactor types
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

Energy Technology Data Exchange (ETDEWEB)

Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)

2017-04-15

Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.
Natural background approach to setting radiation standards

International Nuclear Information System (INIS)

Adler, H.I.; Federow, H.; Weinberg, A.M.

1979-01-01

The suggestion has often been made that an additional radiation exposure imposed on humanity as a result of some important activity such as electricity generation would be acceptable if the exposure was small compared to the natural background. In order to make this concept quantitative and objective, we propose that small compared with the natural background be interpreted as the standard deviation (weighted with the exposed population) of the natural background. This use of the variation in natural background radiation is less arbitrary and requires fewer unfounded assumptions than some current approaches to standard-setting. The standard deviation is an easily calculated statistic that is small compared with the mean value for natural exposures of populations. It is an objectively determined quantity and its significance is generally understood. Its determination does not omit any of the pertinent data. When this method is applied to the population of the United States, it suggests that a dose of 20 mrem/year would be an acceptable standard. This is comparable to the 25 mrem/year suggested as the maximum allowable exposure to an individual from the complete uranium fuel cycle
42 CFR 415.170 - Conditions for payment on a fee schedule basis for physician services in a teaching setting.

Science.gov (United States)

2010-10-01

... physician services in a teaching setting. 415.170 Section 415.170 Public Health CENTERS FOR MEDICARE... BY PHYSICIANS IN PROVIDERS, SUPERVISING PHYSICIANS IN TEACHING SETTINGS, AND RESIDENTS IN CERTAIN SETTINGS Physician Services in Teaching Settings § 415.170 Conditions for payment on a fee schedule basis...
Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets

Science.gov (United States)

Zhang, Xing; Carter, Emily A.

2018-01-01

We revisit the static response function-based Kohn-Sham (KS) inversion procedure for determining the KS effective potential that corresponds to a given target electron density within finite atomic orbital basis sets. Instead of expanding the potential in an auxiliary basis set, we directly update the potential in its matrix representation. Through numerical examples, we show that the reconstructed density rapidly converges to the target density. Preliminary results are presented to illustrate the possibility of obtaining a local potential in real space from the optimized potential in its matrix representation. We have further applied this matrix-based KS inversion approach to density functional embedding theory. A proof-of-concept study of a solvated proton transfer reaction demonstrates the method's promise.
The Role of Construct Maps in Standard Setting

Science.gov (United States)

Kane, Michael T.; Tannenbaum, Richard J.

2013-01-01

The authors observe in this commentary that construct maps can help standard-setting panels to make realistic and internally consistent recommendations for performance-level descriptions (PLDs) and cut-scores, but the benefits may not be realized if policymakers do not fully understand the rationale for the recommendations provided by the…

Determinants of corporate lobbying intensity in the lease standard-setting process

Directory of Open Access Journals (Sweden)

Lucia Mellado

2017-07-01

Full Text Available The highly controversial lease standard-setting project that will replace the standards currently in place, establishes a new approach that includes the recognition of all assets and liabilities associated with lease contracts on the balance sheet, regardless of their classification. The complex standard-setting process and the heated debate among stakeholders makes the analysis of the lobbying phenomenon an important matter for study. The aim of this paper is to find explanatory factors that predict the behaviour of corporate groups with respect to the lease standard-setting process. To achieve this objective, we scrutinize the submission of comment letters by 306 non-financial listed companies in response to the discussion paper (DP 2009 and two exposure drafts (ED 2010 and ED 2013 elaborated jointly by the IASB and the FASB by distinguishing among three degrees of intensity in lobbying activities, depending on participation in the different discussion periods. Our empirical study is conducted through a multivariate analysis that shows the intensity of lobbying by considering participation in the three consultation periods. The results show that the intensity of lobbying is associated with size, profitability, age, industry and managerial ownership. The evidence can be used to predict lobbying behaviour. The research has implications for standard setters and contributes to prior lobbying research.
Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT.

Science.gov (United States)

Götz, Andreas W; Kollmar, Christian; Hess, Bernd A

2005-09-01

We present a systematic procedure for the optimization of the expansion basis for the limited expansion of diatomic overlap density functional theory (LEDO-DFT) and report on optimized auxiliary orbitals for the Ahlrichs split valence plus polarization basis set (SVP) for the elements H, Li--F, and Na--Cl. A new method to deal with near-linear dependences in the LEDO expansion basis is introduced, which greatly reduces the computational effort of LEDO-DFT calculations. Numerical results for a test set of small molecules demonstrate the accuracy of electronic energies, structural parameters, dipole moments, and harmonic frequencies. For larger molecular systems the numerical errors introduced by the LEDO approximation can lead to an uncontrollable behavior of the self-consistent field (SCF) process. A projection technique suggested by Löwdin is presented in the framework of LEDO-DFT, which guarantees for SCF convergence. Numerical results on some critical test molecules suggest the general applicability of the auxiliary orbitals presented in combination with this projection technique. Timing results indicate that LEDO-DFT is competitive with conventional density fitting methods. (c) 2005 Wiley Periodicals, Inc.
NEURO-SYSTEM OF AIMING AND STABILIZING WITH A REGULATOR ON THE BASIS OF STANDARD MODEL MODEL REFERENCE CONTROLLER

Directory of Open Access Journals (Sweden)

B.I. Kuznetsov

2015-08-01

Full Text Available The aim of this work is the synthesis of neural network aiming and stabilization system for the special equipment of moving objects with neuro-controller on the basis of standard model and performance comparison of the neural network system with the neural network predictive control. Build a block diagram of the neural network aiming and stabilization system, based on the subject control principle with PD-regulator in the position loop and with neuro-controller on the basis of standard model in the in the velocity loop. The neuro-controller on the basis of standard model Model Reference Controller is synthesized in the MATLAB Neural Network Toolbox and system simulation is performed. The studies show that the transient state variables of the system are oscillatory. Therefore, the neuro-controller with the prediction NN Predictive Controller should be used for aiming and stabilizing system to provide high dynamic characteristics achieved at the cost of higher complexity and computational cost.
Formulation of improved basis sets for the study of polymer dynamics through diffusion theory methods.

Science.gov (United States)

Gaspari, Roberto; Rapallo, Arnaldo

2008-06-28

In this work a new method is proposed for the choice of basis functions in diffusion theory (DT) calculations. This method, named hybrid basis approach (HBA), combines the two previously adopted long time sorting procedure (LTSP) and maximum correlation approximation (MCA) techniques; the first emphasizing contributions from the long time dynamics, the latter being based on the local correlations along the chain. In order to fulfill this task, the HBA procedure employs a first order basis set corresponding to a high order MCA one and generates upper order approximations according to LTSP. A test of the method is made first on a melt of cis-1,4-polyisoprene decamers where HBA and LTSP are compared in terms of efficiency. Both convergence properties and numerical stability are improved by the use of the HBA basis set whose performance is evaluated on local dynamics, by computing the correlation times of selected bond vectors along the chain, and on global ones, through the eigenvalues of the diffusion operator L. Further use of the DT with a HBA basis set has been made on a 71-mer of syndiotactic trans-1,2-polypentadiene in toluene solution, whose dynamical properties have been computed with a high order calculation and compared to the "numerical experiment" provided by the molecular dynamics (MD) simulation in explicit solvent. The necessary equilibrium averages have been obtained by a vacuum trajectory of the chain where solvent effects on conformational properties have been reproduced with a proper screening of the nonbonded interactions, corresponding to a definite value of the mean radius of gyration of the polymer in vacuum. Results show a very good agreement between DT calculations and the MD numerical experiment. This suggests a further use of DT methods with the necessary input quantities obtained by the only knowledge of some experimental values, i.e., the mean radius of gyration of the chain and the viscosity of the solution, and by a suitable vacuum
Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST

Energy Technology Data Exchange (ETDEWEB)

Torralba, A S; Brazdova, V; Gillan, M J; Bowler, D R [Materials Simulation Laboratory, UCL, Gower Street, London WC1E 6BT (United Kingdom); Todorovic, M; Miyazaki, T [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Choudhury, R [London Centre for Nanotechnology, UCL, 17-19 Gordon Street, London WC1H 0AH (United Kingdom)], E-mail: david.bowler@ucl.ac.uk

2008-07-23

Various aspects of the implementation of pseudo-atomic orbitals (PAOs) as basis functions for the linear scaling CONQUEST code are presented. Preliminary results for the assignment of a large set of PAOs to a smaller space of support functions are encouraging, and an important related proof on the necessary symmetry of the support functions is shown. Details of the generation and integration schemes for the PAOs are also given.
Setting the bar: Standards for ecosystem services.

Science.gov (United States)

Polasky, Stephen; Tallis, Heather; Reyers, Belinda

2015-06-16

Progress in ecosystem service science has been rapid, and there is now a healthy appetite among key public and private sector decision makers for this science. However, changing policy and management is a long-term project, one that raises a number of specific practical challenges. One impediment to broad adoption of ecosystem service information is the lack of standards that define terminology, acceptable data and methods, and reporting requirements. Ecosystem service standards should be tailored to specific use contexts, such as national income and wealth accounts, corporate sustainability reporting, land-use planning, and environmental impact assessments. Many standard-setting organizations already exist, and the research community will make the most headway toward rapid uptake of ecosystem service science by working directly with these organizations. Progress has been made in aligning with existing organizations in areas such as product certification and sustainability reporting, but a major challenge remains in mainstreaming ecosystem service information into core public and private use contexts, such as agricultural and energy subsidy design, national income accounts, and corporate accounts.
Setting the bar: Standards for ecosystem services

Science.gov (United States)

Polasky, Stephen; Tallis, Heather; Reyers, Belinda

2015-01-01

Progress in ecosystem service science has been rapid, and there is now a healthy appetite among key public and private sector decision makers for this science. However, changing policy and management is a long-term project, one that raises a number of specific practical challenges. One impediment to broad adoption of ecosystem service information is the lack of standards that define terminology, acceptable data and methods, and reporting requirements. Ecosystem service standards should be tailored to specific use contexts, such as national income and wealth accounts, corporate sustainability reporting, land-use planning, and environmental impact assessments. Many standard-setting organizations already exist, and the research community will make the most headway toward rapid uptake of ecosystem service science by working directly with these organizations. Progress has been made in aligning with existing organizations in areas such as product certification and sustainability reporting, but a major challenge remains in mainstreaming ecosystem service information into core public and private use contexts, such as agricultural and energy subsidy design, national income accounts, and corporate accounts. PMID:26082540
Setting Standards and Primary School Teachers' Experiences of the Process

Science.gov (United States)

Scherman, Vanessa; Zimmerman, Lisa; Howie, Sarah J.; Bosker, Roel

2014-01-01

In South Africa, very few standard-setting exercises are carried out in education and, if they are, teachers are not involved in their execution. As a result, there is no clear understanding of what the standard is and how it was arrived at. This situation is compounded when teachers are held accountable when learners do not meet the prescribed…
Aiming for a holistic integrated service for men diagnosed with prostate cancer - Definitions of standards and skill sets for nurses and allied healthcare professionals.

Science.gov (United States)

Lamb, Alastair D; Thompson, Sue; Kinsella, Netty; Gerbitz, Ingmar; Chapman, Elaine; Putt, Lisa; Bennett, Sophie; Thankappannair, Vineetha; Geoghegan, Lisa; Wright, Naomi; Stirton-Croft, Alison; Nixon, Penny; Styling, Andrew; Whitney, Diane; Hodgson, Lindsay; Punt, Lisa; Longmore, Jenny; Carter, Mike; Petch, Bill; Rimmer, Yvonne; Russell, Simon; Hughes-Davies, Luke; Mazhar, Danish; Shah, Nimish C; Gnanapragasam, Vincent J; Doble, Andrew; Bratt, Ola; Kastner, Christof

2017-08-01

To establish a comprehensive set of recommendations for the service structure and skill set of nurses and allied healthcare professionals in prostate cancer care. Using components of formal consensus methodology, a 30-member multidisciplinary panel produced 53 items for discussion relating to the provision of care for prostate cancer patients by specialist nurses and allied healthcare professionals. Items were developed by two rounds of email correspondence in which, first, items were generated and, second, items refined to form the basis of a consensus meeting which constituted the third round of review. The fourth and final round was an email review of the consensus output. The panel agreed on 33 items that were appropriate for recommendations to be made. These items were grouped under categories of "Environment" and "Patient Pathway" and included comments on training, leadership, communication and quality assessment as well as specific items related to prostate diagnosis clinics, radical treatment clinics and follow-up survivor groups. Specialist nurses and allied healthcare professionals play a vital role alongside urologists and oncologists to provide care to men with prostate cancer and their families. We present a set of standards and consensus recommendations for the roles and skill-set required for these practitioners to provide gold-standard prostate cancer care. These recommendations could form the basis for development of comprehensive integrated prostate cancer pathways in prostate cancer centres as well as providing guidance for any units treating men with prostate cancer. Copyright © 2017. Published by Elsevier Ltd.
Power battles in ICT standards-setting process : lessons from mobile payments

NARCIS (Netherlands)

Lim, A.S.

2006-01-01

Standards play an important role in ICT innovation to ensure the interoperability and interconnectivity. However, standardisation is a complex process that involves actors with different interests. Various studies, which are mainly economics, have tried to develop the standards-setting process
Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.

Science.gov (United States)

Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

2008-04-24

We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results
Symmetry-adapted basis sets automatic generation for problems in chemistry and physics

CERN Document Server

Avery, John Scales; Avery, James Emil

2012-01-01

In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed
Standardization of the cumulative absolute velocity

International Nuclear Information System (INIS)

O'Hara, T.F.; Jacobson, J.P.

1991-12-01

EPRI NP-5930, ''A Criterion for Determining Exceedance of the Operating Basis Earthquake,'' was published in July 1988. As defined in that report, the Operating Basis Earthquake (OBE) is exceeded when both a response spectrum parameter and a second damage parameter, referred to as the Cumulative Absolute Velocity (CAV), are exceeded. In the review process of the above report, it was noted that the calculation of CAV could be confounded by time history records of long duration containing low (nondamaging) acceleration. Therefore, it is necessary to standardize the method of calculating CAV to account for record length. This standardized methodology allows consistent comparisons between future CAV calculations and the adjusted CAV threshold value based upon applying the standardized methodology to the data set presented in EPRI NP-5930. The recommended method to standardize the CAV calculation is to window its calculation on a second-by-second basis for a given time history. If the absolute acceleration exceeds 0.025g at any time during each one second interval, the earthquake records used in EPRI NP-5930 have been reanalyzed and the adjusted threshold of damage for CAV was found to be 0.16g-set
A primer on standards setting as it applies to surgical education and credentialing.

Science.gov (United States)

Cendan, Juan; Wier, Daryl; Behrns, Kevin

2013-07-01

Surgical technological advances in the past three decades have led to dramatic reductions in the morbidity associated with abdominal procedures and permanently altered the surgical practice landscape. Significant changes continue apace including surgical robotics, natural orifice-based surgery, and single-incision approaches. These disruptive technologies have on occasion been injurious to patients, and high-stakes assessment before adoption of new technologies would be reasonable. We reviewed the drivers for well-established psychometric techniques available for the standards-setting process. We present a series of examples that are relevant in the surgical domain including standards setting for knowledge and skills assessments. Defensible standards for knowledge and procedural skills will likely become part of surgical clinical practice. Understanding the methodology for determining standards should position the surgical community to assist in the process and lead within their clinical settings as standards are considered that may affect patient safety and physician credentialing.
Toward analytic aids for standard setting in nuclear regulation

International Nuclear Information System (INIS)

Brown, R.V.; O'Connor, M.F.; Peterson, C.R.

1979-05-01

US NRC promulgates standards for nuclear reprocessing and other facilities to safeguard against the diversion of nuclear material. Two broad tasks have been directed toward establishing performance criteria for standard settings: general-purpose modeling, and analysis specific to a particular performance criterion option. This report emphasizes work on the second task. Purpose is to provide a framework for the evaluation of such options that organizes the necessary components in a way that provides for meaningful assessments with respect to required inputs
Developing Archive Information Packages for Data Sets: Early Experiments with Digital Library Standards

Science.gov (United States)

Duerr, R. E.; Yang, M.; Gooyabadi, M.; Lee, C.

2008-12-01

The key to interoperability between systems is often metadata, yet metadata standards in the digital library and data center communities have evolved separately. In the data center world NASA's Directory Interchange Format (DIF), the Content Standard for Digital Geospatial Metadata (CSDGM), and most recently the international Geographic Information: Metadata (ISO 19115:2003) are used for descriptive metadata at the data set level to allow catalog interoperability; but use of anything other than repository- based metadata standards for the individual files that comprise a data set is rare, making true interoperability, at the data rather than data set level, across archives difficult. While the Open Archival Information Systems (OAIS) Reference Model with its call for creating Archive Information Packages (AIP) containing not just descriptive metadata but also preservation metadata is slowly being adopted in the community, the PREservation Metadata Implementation Strategies (PREMIS) standard, the only extant OAIS- compliant preservation metadata standard, has scarcely even been recognized as being applicable to the community. The digital library community in the meantime has converged upon the Metadata Encoding and Transmission Standard (METS) for interoperability between systems as evidenced by support for the standard by digital library systems such as Fedora and Greenstone. METS is designed to allow inclusion of other XML-based standards as descriptive and administrative metadata components. A recent Stanford study suggests that a combination of METS with included FGDC and PREMIS metadata could work well for individual granules of a data set. However, some of the lessons learned by the data center community over the last 30+ years of dealing with digital data are 1) that data sets as a whole need to be preserved and described and 2) that discovery and access mechanisms need to be hierarchical. Only once a user has reviewed a data set description and determined
Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: an approach based on quantum mechanics

International Nuclear Information System (INIS)

Lazariev, A; Graveron-Demilly, D; Allouche, A-R; Aubert-Frécon, M; Fauvelle, F; Piotto, M; Elbayed, K; Namer, I-J; Van Ormondt, D

2011-01-01

High-resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) is playing an increasingly important role for diagnosis. This technique enables setting up metabolite profiles of ex vivo pathological and healthy tissue. The need to monitor diseases and pharmaceutical follow-up requires an automatic quantitation of HRMAS 1 H signals. However, for several metabolites, the values of chemical shifts of proton groups may slightly differ according to the micro-environment in the tissue or cells, in particular to its pH. This hampers the accurate estimation of the metabolite concentrations mainly when using quantitation algorithms based on a metabolite basis set: the metabolite fingerprints are not correct anymore. In this work, we propose an accurate method coupling quantum mechanical simulations and quantitation algorithms to handle basis-set changes. The proposed algorithm automatically corrects mismatches between the signals of the simulated basis set and the signal under analysis by maximizing the normalized cross-correlation between the mentioned signals. Optimized chemical shift values of the metabolites are obtained. This method, QM-QUEST, provides more robust fitting while limiting user involvement and respects the correct fingerprints of metabolites. Its efficiency is demonstrated by accurately quantitating 33 signals from tissue samples of human brains with oligodendroglioma, obtained at 11.7 tesla. The corresponding chemical shift changes of several metabolites within the series are also analyzed
Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: an approach based on quantum mechanics

Science.gov (United States)

Lazariev, A.; Allouche, A.-R.; Aubert-Frécon, M.; Fauvelle, F.; Piotto, M.; Elbayed, K.; Namer, I.-J.; van Ormondt, D.; Graveron-Demilly, D.

2011-11-01

High-resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) is playing an increasingly important role for diagnosis. This technique enables setting up metabolite profiles of ex vivo pathological and healthy tissue. The need to monitor diseases and pharmaceutical follow-up requires an automatic quantitation of HRMAS 1H signals. However, for several metabolites, the values of chemical shifts of proton groups may slightly differ according to the micro-environment in the tissue or cells, in particular to its pH. This hampers the accurate estimation of the metabolite concentrations mainly when using quantitation algorithms based on a metabolite basis set: the metabolite fingerprints are not correct anymore. In this work, we propose an accurate method coupling quantum mechanical simulations and quantitation algorithms to handle basis-set changes. The proposed algorithm automatically corrects mismatches between the signals of the simulated basis set and the signal under analysis by maximizing the normalized cross-correlation between the mentioned signals. Optimized chemical shift values of the metabolites are obtained. This method, QM-QUEST, provides more robust fitting while limiting user involvement and respects the correct fingerprints of metabolites. Its efficiency is demonstrated by accurately quantitating 33 signals from tissue samples of human brains with oligodendroglioma, obtained at 11.7 tesla. The corresponding chemical shift changes of several metabolites within the series are also analyzed.
Setting Standards for Medically-Based Running Analysis

Science.gov (United States)

Vincent, Heather K.; Herman, Daniel C.; Lear-Barnes, Leslie; Barnes, Robert; Chen, Cong; Greenberg, Scott; Vincent, Kevin R.

2015-01-01

Setting standards for medically based running analyses is necessary to ensure that runners receive a high-quality service from practitioners. Medical and training history, physical and functional tests, and motion analysis of running at self-selected and faster speeds are key features of a comprehensive analysis. Self-reported history and movement symmetry are critical factors that require follow-up therapy or long-term management. Pain or injury is typically the result of a functional deficit above or below the site along the kinematic chain. PMID:25014394
Transportable GPU (General Processor Units) chip set technology for standard computer architectures

Science.gov (United States)

Fosdick, R. E.; Denison, H. C.

1982-11-01

The USAFR-developed GPU Chip Set has been utilized by Tracor to implement both USAF and Navy Standard 16-Bit Airborne Computer Architectures. Both configurations are currently being delivered into DOD full-scale development programs. Leadless Hermetic Chip Carrier packaging has facilitated implementation of both architectures on single 41/2 x 5 substrates. The CMOS and CMOS/SOS implementations of the GPU Chip Set have allowed both CPU implementations to use less than 3 watts of power each. Recent efforts by Tracor for USAF have included the definition of a next-generation GPU Chip Set that will retain the application-proven architecture of the current chip set while offering the added cost advantages of transportability across ISO-CMOS and CMOS/SOS processes and across numerous semiconductor manufacturers using a newly-defined set of common design rules. The Enhanced GPU Chip Set will increase speed by an approximate factor of 3 while significantly reducing chip counts and costs of standard CPU implementations.

The role of Health Impact Assessment in the setting of air quality standards: An Australian perspective

Energy Technology Data Exchange (ETDEWEB)

Spickett, Jeffery, E-mail: J.Spickett@curtin.edu.au [WHO Collaborating Centre for Environmental Health Impact Assessment (Australia); Faculty of Health Sciences, School of Public Health, Curtin University, Perth, Western Australia (Australia); Katscherian, Dianne [WHO Collaborating Centre for Environmental Health Impact Assessment (Australia); Faculty of Health Sciences, School of Public Health, Curtin University, Perth, Western Australia (Australia); Harris, Patrick [CHETRE — UNSW Research Centre for Primary Health Care and Equity, University of New South Wales (Australia)

2013-11-15

The approaches used for setting or reviewing air quality standards vary from country to country. The purpose of this research was to consider the potential to improve decision-making through integration of HIA into the processes to review and set air quality standards used in Australia. To assess the value of HIA in this policy process, its strengths and weaknesses were evaluated aligned with review of international processes for setting air quality standards. Air quality standard setting programmes elsewhere have either used HIA or have amalgamated and incorporated factors normally found within HIA frameworks. They clearly demonstrate the value of a formalised HIA process for setting air quality standards in Australia. The following elements should be taken into consideration when using HIA in standard setting. (a) The adequacy of a mainly technical approach in current standard setting procedures to consider social determinants of health. (b) The importance of risk assessment criteria and information within the HIA process. The assessment of risk should consider equity, the distribution of variations in air quality in different locations and the potential impacts on health. (c) The uncertainties in extrapolating evidence from one population to another or to subpopulations, especially the more vulnerable, due to differing environmental factors and population variables. (d) The significance of communication with all potential stakeholders on issues associated with the management of air quality. In Australia there is also an opportunity for HIA to be used in conjunction with the NEPM to develop local air quality standard measures. The outcomes of this research indicated that the use of HIA for air quality standard setting at the national and local levels would prove advantageous. -- Highlights: • Health Impact Assessment framework has been applied to a policy development process. • HIA process was evaluated for application in air quality standard setting. �
Standard setting in the teaching and learning process in the Kenya ...

African Journals Online (AJOL)

Standards are set at different levels to govern different requirements that collectively add up to the ingredients of quality education of a child. This study investigated whether or not there are quantitative standards of achievement for guiding teaching and learning in the school system in Kenya. It also investigated teachers' ...
On sets of vectors of a finite vector space in which every subset of basis size is a basis II

OpenAIRE

Ball, Simeon; De Beule, Jan

2012-01-01

This article contains a proof of the MDS conjecture for k a parts per thousand currency sign 2p - 2. That is, that if S is a set of vectors of in which every subset of S of size k is a basis, where q = p (h) , p is prime and q is not and k a parts per thousand currency sign 2p - 2, then |S| a parts per thousand currency sign q + 1. It also contains a short proof of the same fact for k a parts per thousand currency sign p, for all q.
Standard setting and quality of assessment: A conceptual approach ...

African Journals Online (AJOL)

Quality performance standards and the effect of assessment outcomes are important in the educational milieu, as assessment remains the representative ... not be seen as a methodological process of setting pass/fail cut-off points only, but as a powerful catalyst for quality improvements in HPE by promoting excellence in ...
Global rule-setting for business: A critical analysis of multi-stakeholder standards

NARCIS (Netherlands)

Fransen, L.W.; Kolk, A.

2007-01-01

In the field of global rule-setting for responsible business behaviour, multi-stakeholder standards have emerged in recent years because of their potential for effective consensus-building, knowledgesharing and interest representation. Proponents also hold that multistakeholder standards could
Risk approaches in setting radiation standards

International Nuclear Information System (INIS)

Whipple, C.

1984-01-01

This paper discusses efforts to increase the similarity of risk regulation approaches for radiation and chemical carcinogens. The risk assessment process in both cases involves the same controversy over the extrapolation from high to low doses and dose rates, and in both cases the boundaries between science and policy in risk assessment are indistinct. Three basic considerations are presented to approach policy questions: the economic efficiency of the regulatory approach, the degree of residual risk, and the technical opportunities for risk control. It is the author's opinion that if an agency can show that its standard-setting policies are consistent with those which have achieved political and judicial acceptance in other contexts, the greater the predictability of the regulatory process and the stability of this process
Determining a Consistent Set of Accounting and Financial Reporting Standards

OpenAIRE

Anne Le Manh-Béna; Olivier Ramond

2011-01-01

Following the debate on the Conceptual Framework revision undertaken by the IASB and the FASB, this paper discusses three major concerns about the way financial reporting standards should be determined: (1) What is the role a Conceptual Framework?; (2) For whom and for which needs are accounting and financial reporting standards made?; and (3) What information set should financial reporting provide? We show that the perceived need of a Framework has resulted in practice in weak usefulness We ...
Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations

International Nuclear Information System (INIS)

Varandas, A.J.C.

1980-01-01

A suggestion is made for using the zeroth-order exchange term, at the one-exchange level, in the perturbation development of the interaction energy as a criterion for optmizing the atomic basis sets in interatomic force calculations. The approach is illustrated for the case of two helium atoms. (orig.)
Basic Laparoscopic Skills Assessment Study: Validation and Standard Setting among Canadian Urology Trainees.

Science.gov (United States)

Lee, Jason Y; Andonian, Sero; Pace, Kenneth T; Grober, Ethan

2017-06-01

As urology training programs move to a competency based medical education model, iterative assessments with objective standards will be required. To develop a valid set of technical skills standards we initiated a national skills assessment study focusing initially on laparoscopic skills. Between February 2014 and March 2016 the basic laparoscopic skill of Canadian urology trainees and attending urologists was assessed using 4 standardized tasks from the AUA (American Urological Association) BLUS (Basic Laparoscopic Urological Surgery) curriculum, including peg transfer, pattern cutting, suturing and knot tying, and vascular clip applying. All performances were video recorded and assessed using 3 methods, including time and error based scoring, expert global rating scores and C-SATS (Crowd-Sourced Assessments of Technical Skill Global Rating Scale), a novel, crowd sourced assessment platform. Different methods of standard setting were used to develop pass-fail cut points. Six attending urologists and 99 trainees completed testing. Reported laparoscopic experience and training level correlated with performance (p standard setting methods to define pass-fail cut points for all 4 AUA BLUS tasks. The 4 AUA BLUS tasks demonstrated good construct validity evidence for use in assessing basic laparoscopic skill. Performance scores using the novel C-SATS platform correlated well with traditional time-consuming methods of assessment. Various standard setting methods were used to develop pass-fail cut points for educators to use when making formative and summative assessments of basic laparoscopic skill. Copyright © 2017 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.
The static response function in Kohn-Sham theory: An appropriate basis for its matrix representation in case of finite AO basis sets

International Nuclear Information System (INIS)

Kollmar, Christian; Neese, Frank

2014-01-01

The role of the static Kohn-Sham (KS) response function describing the response of the electron density to a change of the local KS potential is discussed in both the theory of the optimized effective potential (OEP) and the so-called inverse Kohn-Sham problem involving the task to find the local KS potential for a given electron density. In a general discussion of the integral equation to be solved in both cases, it is argued that a unique solution of this equation can be found even in case of finite atomic orbital basis sets. It is shown how a matrix representation of the response function can be obtained if the exchange-correlation potential is expanded in terms of a Schmidt-orthogonalized basis comprising orbitals products of occupied and virtual orbitals. The viability of this approach in both OEP theory and the inverse KS problem is illustrated by numerical examples
Report on the Observance of Standards and Codes, Accounting and Auditing : Module B - Institutional Framework for Corporate Financial Reporting, B.9 Auditing Standard-setting

OpenAIRE

World Bank

2017-01-01

The purpose of this report is to gain an understanding of the governance arrangements, procedures, and capacity for setting auditing standards in a jurisdiction, covering: (a) the adoption of International Standards on Auditing (ISA) where applicable, and (b) national auditing standards. The questions are based on examples of good practice followed by international standard-setting bodies....
Protein folding: Defining a standard set of experimental conditions and a preliminary kinetic data set of two-state proteins

DEFF Research Database (Denmark)

Maxwell, Karen L.; Wildes, D.; Zarrine-Afsar, A.

2005-01-01

Recent years have seen the publication of both empirical and theoretical relationships predicting the rates with which proteins fold. Our ability to test and refine these relationships has been limited, however, by a variety of difficulties associated with the comparison of folding and unfolding ...... efforts is to set uniform standards for the experimental community and to initiate an accumulating, self-consistent data set that will aid ongoing efforts to understand the folding process....... constructs. The lack of a single approach to data analysis and error estimation, or even of a common set of units and reporting standards, further hinders comparative studies of folding. In an effort to overcome these problems, we define here a consensus set of experimental conditions (25°C at pH 7.0, 50 m...... rates, thermodynamics, and structure across diverse sets of proteins. These difficulties include the wide, potentially confounding range of experimental conditions and methods employed to date and the difficulty of obtaining correct and complete sequence and structural details for the characterized...
European union standards for tuberculosis care.

Science.gov (United States)

Migliori, G B; Zellweger, J P; Abubakar, I; Ibraim, E; Caminero, J A; De Vries, G; D'Ambrosio, L; Centis, R; Sotgiu, G; Menegale, O; Kliiman, K; Aksamit, T; Cirillo, D M; Danilovits, M; Dara, M; Dheda, K; Dinh-Xuan, A T; Kluge, H; Lange, C; Leimane, V; Loddenkemper, R; Nicod, L P; Raviglione, M C; Spanevello, A; Thomsen, V Ø; Villar, M; Wanlin, M; Wedzicha, J A; Zumla, A; Blasi, F; Huitric, E; Sandgren, A; Manissero, D

2012-04-01

The European Centre for Disease Prevention and Control (ECDC) and the European Respiratory Society (ERS) jointly developed European Union Standards for Tuberculosis Care (ESTC) aimed at providing European Union (EU)-tailored standards for the diagnosis, treatment and prevention of tuberculosis (TB). The International Standards for TB Care (ISTC) were developed in the global context and are not always adapted to the EU setting and practices. The majority of EU countries have the resources and capacity to implement higher standards to further secure quality TB diagnosis, treatment and prevention. On this basis, the ESTC were developed as standards specifically tailored to the EU setting. A panel of 30 international experts, led by a writing group and the ERS and ECDC, identified and developed the 21 ESTC in the areas of diagnosis, treatment, HIV and comorbid conditions, and public health and prevention. The ISTCs formed the basis for the 21 standards, upon which additional EU adaptations and supplements were developed. These patient-centred standards are targeted to clinicians and public health workers, providing an easy-to-use resource, guiding through all required activities to ensure optimal diagnosis, treatment and prevention of TB. These will support EU health programmes to identify and develop optimal procedures for TB care, control and elimination.
Patent challenges for standard-setting in the global economy : lessons from information and communication industry

NARCIS (Netherlands)

Maskus, K.; Merrill, S.A.; Bekkers, R.N.A.; Sandy Block, Marc; Contreras, Jorge; Gilbert, Richard; Goodman, David; Marasco, Amy; Simcoe, Tim; Smoot, Oliver; Suttmeier, Richard; Updegrove, Andrew

2014-01-01

Patent Challenges for Standard-Setting in the Global Economy: Lessons from Information and Communication Technology examines how leading national and multinational standard-setting organizations (SSOs) address patent disclosures, licensing terms, transfers of patent ownership, and other issues that
Standard Setting as Psychometric Due Process: Going a Little Further Down an Uncertain Road.

Science.gov (United States)

Cizek, Gregory J.

The concept of due process provides an analogy for the process of standard setting that emphasizes many of the procedural and substantive elements of the process over technical and statistical concerns. Surely such concerns can and should continue to be addressed. However, a sound rationale for standard setting does not rest on this foundation.…
Implementing standard setting into the Conjoint MAFP/FRACGP Part 1 examination - Process and issues.

Science.gov (United States)

Chan, S C; Mohd Amin, S; Lee, T W

2016-01-01

The College of General Practitioners of Malaysia and the Royal Australian College of General Practitioners held the first Conjoint Member of the College of General Practitioners (MCGP)/Fellow of Royal Australian College of General Practitioners (FRACGP) examination in 1982, later renamed the Conjoint MAFP/FRACGP examinations. The examination assesses competency for safe independent general practice and as family medicine specialists in Malaysia. Therefore, a defensible standard set pass mark is imperative to separate the competent from the incompetent. This paper discusses the process and issues encountered in implementing standard setting to the Conjoint Part 1 examination. Critical to success in standard setting were judges' understanding of the process of the modified Angoff method, defining the borderline candidate's characteristics and the composition of judges. These were overcome by repeated hands-on training, provision of detailed guidelines and careful selection of judges. In December 2013, 16 judges successfully standard set the Part 1 Conjoint examinations, with high inter-rater reliability: Cronbach's alpha coefficient 0.926 (Applied Knowledge Test), 0.921 (Key Feature Problems).
A Mapmark method of standard setting as implemented for the National Assessment Governing Board.

Science.gov (United States)

Schulz, E Matthew; Mitzel, Howard C

2011-01-01

This article describes a Mapmark standard setting procedure, developed under contract with the National Assessment Governing Board (NAGB). The procedure enhances the bookmark method with spatially representative item maps, holistic feedback, and an emphasis on independent judgment. A rationale for these enhancements, and the bookmark method, is presented, followed by a detailed description of the materials and procedures used in a meeting to set standards for the 2005 National Assessment of Educational Progress (NAEP) in Grade 12 mathematics. The use of difficulty-ordered content domains to provide holistic feedback is a particularly novel feature of the method. Process evaluation results comparing Mapmark to Anghoff-based methods previously used for NAEP standard setting are also presented.
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

Science.gov (United States)

Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.; Sato, S. A.; Rehr, J. J.; Yabana, K.; Prendergast, David

2018-05-01

The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. Potential applications of the LCAO based scheme in the context of extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.
Factors Influencing the Degree of Intrajudge Consistency during the Standard Setting Process.

Science.gov (United States)

Plake, Barbara S.; And Others

The accuracy of standards obtained from judgmental methods is dependent on the quality of the judgments made by experts throughout the standard setting process. One important dimension of the quality of these judgments is the consistency of the judges' perceptions with item performance of minimally competent candidates. Several interrelated…
A basis for standardized seismic design (SSD) for nuclear power plants/critical facilities

International Nuclear Information System (INIS)

O'Hara, T.F.; Jacobson, J.P.; Bellini, F.X.

1991-01-01

US Nuclear Power Plants (NPP's) are designed, engineered and constructed to stringent standards. Their seismic adequacy is assured by compliance with regulatory standards and demonstrated by both probabilistic risk assessments (PRAs) and seismic margin studies. However, present seismic siting criteria requires improvement. Proposed changes to siting criteria discussed here will provide a predictable licensing process and a stable regulatory environment. Two recent state-of-the-art studies evaluate the seismic design for all eastern US (EUS) NPP'S: a Lawrence Livermore National Labs study (LLNL, 1989) funded by the NRC and similar research by the Electric Power Research Institute (EPRI, 1989) supported by the utilities. Both confirm that Appendix A 10CFR Part 100 has not provided consistent seismic design levels for all sites. Standardized Seismic Design (SSD) uses a probabilistic framework to accommodate alternative deterministic interpretations. It uses seismic hazard input from EPRI or LLNL to produce consistent bases for future seismic design. SSD combines deterministic and probabilistic insights to provide a comprehensive approach for determining a future site's acceptable seismic design basis

Basis set effects on the energy of intramolecular O-H...halogen hydrogen bridges in ortho-halophenols and 2,4-dihalo-malonaldehyde

International Nuclear Information System (INIS)

Buemi, Giuseppe

2004-01-01

Ab initio calculations of hydrogen bridge energies (E HB ) of 2-halophenols were carried out at various levels of sophistication using a variety of basis sets in order to verify their ability in reproducing the experimentally-determined gas phase ordering, and the related experimental frequencies of the O-H vibration stretching mode. The semiempirical AM1 and PM3 approaches were adopted, too. Calculations were extended to the O-H...X bridge of a particular conformation of 2,4-dihalo-malonaldehyde. The results and their trend with respect to the electronegativity of the halogen series are highly dependant on the basis set. The less sophisticated 3-21G, CEP121G and LANL2DZ basis sets (with and without correlation energy inclusion) predict E HB decreasing on decreasing the electronegativity power whilst the opposite is generally found when more extended bases are used. However, all high level calculations confirm the nearly negligible energy differences between the examined O-H...X bridges
Evaluation of the Standard Setting on the 2005 Grade 12 National Assessment of Educational Progress Mathematics Test

Science.gov (United States)

Sireci, Stephen G.; Hauger, Jeffrey B.; Wells, Craig S.; Shea, Christine; Zenisky, April L.

2009-01-01

The National Assessment Governing Board used a new method to set achievement level standards on the 2005 Grade 12 NAEP Math test. In this article, we summarize our independent evaluation of the process used to set these standards. The evaluation data included observations of the standard-setting meeting, observations of advisory committee meetings…
Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

International Nuclear Information System (INIS)

Frisch, M.J.; Binkley, J.S.; Schaefer, H.F. III

1984-01-01

The relative energies of the stationary points on the FH 2 and H 2 CO nuclear potential energy surfaces relevant to the hydrogen atom abstraction, H 2 elimination and 1,2-hydrogen shift reactions have been examined using fourth-order Moller--Plesset perturbation theory and a variety of basis sets. The theoretical absolute zero activation energy for the F+H 2 →FH+H reaction is in better agreement with experiment than previous theoretical studies, and part of the disagreement between earlier theoretical calculations and experiment is found to result from the use of assumed rather than calculated zero-point vibrational energies. The fourth-order reaction energy for the elimination of hydrogen from formaldehyde is within 2 kcal mol -1 of the experimental value using the largest basis set considered. The qualitative features of the H 2 CO surface are unchanged by expansion of the basis set beyond the polarized triple-zeta level, but diffuse functions and several sets of polarization functions are found to be necessary for quantitative accuracy in predicted reaction and activation energies. Basis sets and levels of perturbation theory which represent good compromises between computational efficiency and accuracy are recommended
Variation in assessment and standard setting practices across UK undergraduate medicine and the need for a benchmark.

Science.gov (United States)

MacDougall, Margaret

2015-10-31

The principal aim of this study is to provide an account of variation in UK undergraduate medical assessment styles and corresponding standard setting approaches with a view to highlighting the importance of a UK national licensing exam in recognizing a common standard. Using a secure online survey system, response data were collected during the period 13 - 30 January 2014 from selected specialists in medical education assessment, who served as representatives for their respective medical schools. Assessment styles and corresponding choices of standard setting methods vary markedly across UK medical schools. While there is considerable consensus on the application of compensatory approaches, individual schools display their own nuances through use of hybrid assessment and standard setting styles, uptake of less popular standard setting techniques and divided views on norm referencing. The extent of variation in assessment and standard setting practices across UK medical schools validates the concern that there is a lack of evidence that UK medical students achieve a common standard on graduation. A national licensing exam is therefore a viable option for benchmarking the performance of all UK undergraduate medical students.
Comparative evaluation of different methods of setting hygienic standards

International Nuclear Information System (INIS)

Ramzaev, P.V.; Rodionova, L.F.; Mashneva, N.I.

1978-01-01

Long-term experiments were carried out on white mice and rats to study the relative importance of various procedures used in setting hygienic standards for exposure to adverse factors. A variety of radionuclides and chemical substances were tested and the sensitivities to them of various indices of the bodily state were determined. For each index, statistically significant minimal effective concentrations of substances were established
Perturbation expansion theory corrected from basis set superposition error. I. Locally projected excited orbitals and single excitations.

Science.gov (United States)

Nagata, Takeshi; Iwata, Suehiro

2004-02-22

The locally projected self-consistent field molecular orbital method for molecular interaction (LP SCF MI) is reformulated for multifragment systems. For the perturbation expansion, two types of the local excited orbitals are defined; one is fully local in the basis set on a fragment, and the other has to be partially delocalized to the basis sets on the other fragments. The perturbation expansion calculations only within single excitations (LP SE MP2) are tested for water dimer, hydrogen fluoride dimer, and colinear symmetric ArM+ Ar (M = Na and K). The calculated binding energies of LP SE MP2 are all close to the corresponding counterpoise corrected SCF binding energy. By adding the single excitations, the deficiency in LP SCF MI is thus removed. The results suggest that the exclusion of the charge-transfer effects in LP SCF MI might indeed be the cause of the underestimation for the binding energy. (c) 2004 American Institute of Physics.
Standards of Multimedia Graphic Design in Education

Science.gov (United States)

Aldalalah, Osamah Ahmad; Ababneh, Ziad Waleed Mohamed

2015-01-01

This study aims to determine Standards of Multimedia Graphic Design in Education through the analysis of the theoretical basis and previous studies related to this subject. This study has identified the list of standards of Multimedia, Graphic Design, each of which has a set indicator through which the quality of Multimedia can be evaluated in…
A conceptual analysis of standard setting in large-scale assessments

NARCIS (Netherlands)

van der Linden, Willem J.

1994-01-01

Elements of arbitrariness in the standard setting process are explored, and an alternative to the use of cut scores is presented. The first part of the paper analyzes the use of cut scores in large-scale assessments, discussing three different functions: (1) cut scores define the qualifications used
Integrated Data Collection Analysis (IDCA) Program — RDX Standard Data Sets

Energy Technology Data Exchange (ETDEWEB)

Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Phillips, Jason J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Shelley, Timothy J. [Bureau of Alcohol, Tobacco and Firearms, Huntsville, AL (United States); Reyes, Jose A. [Applied Research Associates, Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2013-03-04

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard, for a third and fourth time in the Proficiency Test and averaged with the analysis results from the first and second time. The results, from averaging all four sets (1, 2, 3 and 4) of data suggest a material to have slightly more impact sensitivity, more BAM friction sensitivity, less ABL friction sensitivity, similar ESD sensitivity, and same DSC sensitivity, compared to the results from Set 1, which was used previously as the values for the RDX standard in IDCA Analysis Reports.
The natural background approach to setting radiation standards

International Nuclear Information System (INIS)

Adler, H.I.; Federow, H.; Weinberg, A.M.

1979-01-01

The suggestion has often been made that an additional radiation exposure imposed on humanity as a result of some important activity such as electricity generation would be acceptable if the exposure was 'small' compared to the natural background. In order to make this concept quantitative and objective, we propose that 'small compared with the natural background' be interpreted as the standard deviation (weighted with the exposed population) of the natural background. We believe that this use of the variation in natural background radiation is less arbitrary and requires fewer unfounded assumptions than some current approaches to standard-setting. The standard deviation is an easily calculated statistic that is small compared with the mean value for natural exposures of populations. It is an objectively determined quantity and its significance is generally understood. Its determination does not omit any of the pertinent data. When this method is applied to the population of the USA, it implies that a dose of 20 mrem/year would be an acceptable standard. This is closely comparable to the 25 mrem/year suggested by the Environmental Protection Agency as the maximum allowable exposure to an individual in the general population as a result of the operation of the complete uranium fuel cycle. Other agents for which a natural background exists can be treated in the same way as radiation. In addition, a second method for determining permissible exposure levels for agents other than radiation is presented. This method makes use of the natural background radiation data as a primary standard. Some observations on benzo(a)pyrene, using this latter method, are presented. (author)
Estimating the Standard Error of the Judging in a modified-Angoff Standards Setting Procedure

Directory of Open Access Journals (Sweden)

Robert G. MacCann

2004-03-01

Full Text Available For a modified Angoff standards setting procedure, two methods of calculating the standard error of the..judging were compared. The Central Limit Theorem (CLT method is easy to calculate and uses readily..available data. It estimates the variance of mean cut scores as a function of the variance of cut scores within..a judging group, based on the independent judgements at Stage 1 of the process. Its theoretical drawback is..that it is unable to take account of the effects of collaboration among the judges at Stages 2 and 3. The..second method, an application of equipercentile (EQP equating, relies on the selection of very large stable..candidatures and the standardisation of the raw score distributions to remove effects associated with test..difficulty. The standard error estimates were then empirically obtained from the mean cut score variation..observed over a five year period. For practical purposes, the two methods gave reasonable agreement, with..the CLT method working well for the top band, the band that attracts most public attention. For some..bands in English and Mathematics, the CLT standard error was smaller than the EQP estimate, suggesting..the CLT method be used with caution as an approximate guide only.
Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH

Science.gov (United States)

Kolmann, Stephen J.; Jordan, Meredith J. T.

2010-02-01

One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: application to SSSH.

Science.gov (United States)

Kolmann, Stephen J; Jordan, Meredith J T

2010-02-07

One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Chemical bonding analysis for solid-state systems using intrinsic oriented quasiatomic minimal-basis-set orbitals

International Nuclear Information System (INIS)

Yao, Y.X.; Wang, C.Z.; Ho, K.M.

2010-01-01

A chemical bonding scheme is presented for the analysis of solid-state systems. The scheme is based on the intrinsic oriented quasiatomic minimal-basis-set orbitals (IO-QUAMBOs) previously developed by Ivanic and Ruedenberg for molecular systems. In the solid-state scheme, IO-QUAMBOs are generated by a unitary transformation of the quasiatomic orbitals located at each site of the system with the criteria of maximizing the sum of the fourth power of interatomic orbital bond order. Possible bonding and antibonding characters are indicated by the single particle matrix elements, and can be further examined by the projected density of states. We demonstrate the method by applications to graphene and (6,0) zigzag carbon nanotube. The oriented-orbital scheme automatically describes the system in terms of sp 2 hybridization. The effect of curvature on the electronic structure of the zigzag carbon nanotube is also manifested in the deformation of the intrinsic oriented orbitals as well as a breaking of symmetry leading to nonzero single particle density matrix elements. In an additional study, the analysis is performed on the Al 3 V compound. The main covalent bonding characters are identified in a straightforward way without resorting to the symmetry analysis. Our method provides a general way for chemical bonding analysis of ab initio electronic structure calculations with any type of basis sets.
The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods.

Science.gov (United States)

Lynch, Benjamin J; Zhao, Yan; Truhlar, Donald G

2005-03-03

Three new multicoefficient correlation methods (MCCMs) called BMC-QCISD, BMC-CCSD, and BMC-CCSD-C are optimized against 274 data that include atomization energies, electron affinities, ionization potentials, and reaction barrier heights. A new basis set called 6-31B(d) is developed and used as part of the new methods. BMC-QCISD has mean unsigned errors in calculating atomization energies per bond and barrier heights of 0.49 and 0.80 kcal/mol, respectively. BMC-CCSD has mean unsigned errors of 0.42 and 0.71 kcal/mol for the same two quantities. BMC-CCSD-C is an equally effective variant of BMC-CCSD that employs Cartesian rather than spherical harmonic basis sets. The mean unsigned error of BMC-CCSD or BMC-CCSD-C for atomization energies, barrier heights, ionization potentials, and electron affinities is 22% lower than G3SX(MP2) at an order of magnitude less cost for gradients for molecules with 9-13 atoms, and it scales better (N6 vs N,7 where N is the number of atoms) when the size of the molecule is increased.
An International Standard Set of Patient-Centered Outcome Measures After Stroke

NARCIS (Netherlands)

Salinas, J. (Joel); Sprinkhuizen, S.M. (Sara M.); Ackerson, T. (Teri); Bernhardt, J. (Julie); Davie, C. (Charlie); George, M.G. (Mary G.); Gething, S. (Stephanie); Kelly, A.G. (Adam G.); Lindsay, P. (Patrice); Liu, L. (Liping); Martins, S.C.O. (Sheila C.O.); Morgan, L. (Louise); B. Norrving (Bo); Ribbers, G.M. (Gerard M.); Silver, F.L. (Frank L.); Smith, E.E. (Eric E.); Williams, L.S. (Linda S.); Schwamm, L.H. (Lee H.)

2015-01-01

markdownabstract__BACKGROUND AND PURPOSE:__ Value-based health care aims to bring together patients and health systems to maximize the ratio of quality over cost. To enable assessment of healthcare value in stroke management, an international standard set of patient-centered stroke outcome measures
Formation and physical characteristics of van der Waals molecules, cations, and anions: Estimates of complete basis set values

Czech Academy of Sciences Publication Activity Database

Zahradník, Rudolf; Šroubková, Libuše

2005-01-01

Roč. 104, č. 1 (2005), s. 52-63 ISSN 0020-7608 Institutional research plan: CEZ:AV0Z40400503 Keywords : intermolecular complexes * van der Waals species * ab initio calculations * complete basis set values * estimates Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.192, year: 2005
Secondary electron images obtained with a standard PEEM set up

International Nuclear Information System (INIS)

Benka, O.; Zeppenfeld, P.

2004-01-01

Secondary electron images excited by 3 to 4.3 keV electrons are obtained with a standard photoelectron electron emission microscope (PEEM) set up equipped with an imaging energy filter (IEF). The electron gun was mounted on a standard PEEM entrance flange at an angle of 25 o with respect to the sample surface. A low extraction voltage of 500 V was used to minimize the deflection of the electron beam by the PEEM extraction electrode. The secondary electron images are compared to photoelectron images excited by a standard 4.9 eV UV lamp. In the case of a Cu pattern on a Si substrate it is found that the lateral resolution without the IEF is about the same for electron and photon excitation but that the relative electron emission intensities are very different. The use of the IEF-reduces the lateral resolution. Images for secondary electron energies between eV 1 and eV 2 were obtained by setting the IEF to -V 1 and -V 2 ∼ -(V 1 + 5V) potentials and taking the difference of both images. Images up to 100 eV electron energies were recorded. The lateral resolution is in the range of μm. The material contrast obtained in these difference images are discussed in terms of a secondary electron and photoelectron emission model and secondary electron energy spectra measured with a LEED-Auger spectrometer. (author)
OBESITY OF ADULTS LIVING IN THE URBAN SETTINGS AS BASIS FOR DIFFERENT APPLICATIONS OF RECREATIONAL SPORTS

Directory of Open Access Journals (Sweden)

Vesko Drašković

2008-08-01

Full Text Available According to the World Health Organization’s data, obesity is one of the main risk factors for the human health, especially in so called “mature age”, that is in forties and fiftees of the human’s life. There are many causes of obesity, and the most common ones are unadequate or excessive nutrition, low quality food rich in fats and highly caloric sweetener, unsufficient physical activity – hypokinesy, but also technical and technological development of the modern World (TV, cell phones, elevators, cars etc.. The objective of this research is to define the obesity of adults living in the urban settings through BMI (body mass index and to create, on the basis of these findings, the basis for different applications of the recreational sports programme.
How Good Is Good Enough? Educational Standard Setting and Its Effect on African American Test Takers

Science.gov (United States)

Caines, Jade; Engelhard, George, Jr.

2012-01-01

Standard setting (the process of establishing minimum passing scores on high-stakes exams) is a highly evaluative and policy-driven process. It is a common belief that standard setting panels should be diverse and representative. There is concern, however, that panelists with varying characteristics may differentially influence the results of the…

PERBANDINGAN ESTIMASI KESALAHAN PENGUKURAN STANDARD SETTING DALAM PENILAIAN KOMPETENSI AKUNTANSI SMK

Directory of Open Access Journals (Sweden)

Sebastianus Widanarto Prijowuntato

2015-10-01

ESTIMATION OF STANDARD SETTING ERROR MEASUREMENT IN ACCOUNTING COMPETENCY ASSESSMENT IN VOCATIONAL SCHOOLS Abstract This research aims to estimate the measurement error in the Angof, Ebel, and Bookmark methods in Accounting Competency Assessment in Vocational Schools in DIY used by standard setters in deciding a cut score. This research is quantitative research. Data source in this study was the cut score of seven vocational schools in Yogyakarta that were randomly established. The reseach data were students’ answers to the National Examination in Accounting Subject of Package 2 in the academic year of 2011/2012 with 338 students. The teachers who engaged in the Focus Group Discussion (FGD were nine teachers, consisting of seven women and two men. The technical analysis was divided into three stages. 1 preparation, 2 FGD, 3 estimated error measurement by using the Bootstrap method. The results show that the cut score for the Angoff method is 67.809, Ebel method is 59.034, and Bookmark method is 57.022. The Angoff method has the least estimation of the measurement errors (2.102 as compared with the Ebel method (4.004 and the Bookmark method (4.042. Therefore, the Angoff method is the right method for estimating error measurement on standard setting. Keywords: Estimation of error measurement, Bootstrap, Cut Score
Structural basis for inhibition of the histone chaperone activity of SET/TAF-Iβ by cytochrome c.

Science.gov (United States)

González-Arzola, Katiuska; Díaz-Moreno, Irene; Cano-González, Ana; Díaz-Quintana, Antonio; Velázquez-Campoy, Adrián; Moreno-Beltrán, Blas; López-Rivas, Abelardo; De la Rosa, Miguel A

2015-08-11

Chromatin is pivotal for regulation of the DNA damage process insofar as it influences access to DNA and serves as a DNA repair docking site. Recent works identify histone chaperones as key regulators of damaged chromatin's transcriptional activity. However, understanding how chaperones are modulated during DNA damage response is still challenging. This study reveals that the histone chaperone SET/TAF-Iβ interacts with cytochrome c following DNA damage. Specifically, cytochrome c is shown to be translocated into cell nuclei upon induction of DNA damage, but not upon stimulation of the death receptor or stress-induced pathways. Cytochrome c was found to competitively hinder binding of SET/TAF-Iβ to core histones, thereby locking its histone-binding domains and inhibiting its nucleosome assembly activity. In addition, we have used NMR spectroscopy, calorimetry, mutagenesis, and molecular docking to provide an insight into the structural features of the formation of the complex between cytochrome c and SET/TAF-Iβ. Overall, these findings establish a framework for understanding the molecular basis of cytochrome c-mediated blocking of SET/TAF-Iβ, which subsequently may facilitate the development of new drugs to silence the oncogenic effect of SET/TAF-Iβ's histone chaperone activity.
Integrated Data Collection Analysis (IDCA) Program - RDX Standard Data Set 2

Energy Technology Data Exchange (ETDEWEB)

Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Phillips, Jason J. [Air Force Research Lab. (AFRL), Tyndall Air Force Base, FL (United States); Shelley, Timothy J. [Applied Research Associates, Tyndall Air Force Base, FL (United States); Reyes, Jose A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2013-02-20

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard, from testing the second time in the Proficiency Test. This RDX testing (Set 2) compared to the first (Set 1) was found to have about the same impact sensitivity, have more BAM friction sensitivity, less ABL friction sensitivity, similar ESD sensitivity, and same DSC sensitivity.
Basis to demonstrate compliance with the National Emission Standards for Hazardous Air Pollutants for the Stand-off Experiments Range

Energy Technology Data Exchange (ETDEWEB)

Michael Sandvig

2011-01-01

The purpose of this report is to provide the basis and the documentation to demonstrate general compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPS) 40 CFR 61 Subpart H, “National Emission Standards for Emissions of Radionuclides Other Than Radon from Department of Energy Facilities,” (the Standard) for outdoor linear accelerator operations at the Idaho National Laboratory (INL) Stand-off Experiments Range (SOX). The intent of this report is to inform and gain acceptance of this methodology from the governmental bodies regulating the INL.
C++ Coding Standards 101 Rules, Guidelines, and Best Practices

CERN Document Server

Sutter, Herb

2005-01-01

Consistent, high-quality coding standards improve software quality, reduce time-to-market, promote teamwork, eliminate time wasted on inconsequential matters, and simplify maintenance. Now, two of the world's most respected C++ experts distill the rich collective experience of the global C++ community into a set of coding standards that every developer and development team can understand and use as a basis for their own coding standards.
Innovations in Setting Performance Standards for K-12 Test-Based Accountability

Science.gov (United States)

Huff, Kristen; Plake, Barbara S.

2010-01-01

Standard setting is a systematic process that uses a combination of judgmental and empirical procedures to make recommendations about where on the score continuum "cut scores" should be placed. Cut scores divide the score scale into categories consistent with the descriptions of student performance associated with multiple levels of achievement.…
Design Load Basis for Offshore Wind turbines

DEFF Research Database (Denmark)

Natarajan, Anand; Hansen, Morten Hartvig; Wang, Shaofeng

2016-01-01

DTU Wind Energy is not designing and manufacturing wind turbines and does therefore not need a Design Load Basis (DLB) that is accepted by a certification body. However, to assess the load consequences of innovative features and devices added to existing offshore turbine concepts or new offshore...... turbine concept developed in our research, it is useful to have a full DLB that follows the current design standard and is representative of a general DLB used by the industry. It will set a standard for the offshore wind turbine design load evaluations performed at DTU Wind Energy, which is aligned...... with the challenges faced by the industry and therefore ensures that our research continues to have a strong foundation in this interaction. Furthermore, the use of a full DLB that follows the current standard can improve and increase the feedback from the research at DTU Wind Energy to the international...
Safety Basis Report

International Nuclear Information System (INIS)

R.J. Garrett

2002-01-01

As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities
Safety Basis Report

Energy Technology Data Exchange (ETDEWEB)

R.J. Garrett

2002-01-14

As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities.
Lithium photoionization cross-section and dynamic polarizability using square integrable basis sets and correlated wave functions

International Nuclear Information System (INIS)

Hollauer, E.; Nascimento, M.A.C.

1985-01-01

The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt
The biological basis of plutonium safety standards

International Nuclear Information System (INIS)

Mole, R.H.

1976-01-01

Since no radiation injury or cancer in man can, as yet, be directly attributed to Pu, all safety standards for Pu must be determined by reference to other safety standards, development of which is discussed. A system of safety standards must be based on links with real damage, such as the requirement for 226 Ra in bone. The type of biological information required for making standards realistic is considered in relation to Pu and Ra in bone. Also considered are the possible effects of Pu in soft tissue such as bone marrow. Not only dose, but also the number of cells exposed to the dose are important biologically and cellular aspects are examined. Since there is no positive evidence of Pu toxicity relevant information on other α emitters must be examined. The observed effectiveness of Ra, daughters of 222 Ra and 232 Th in causing mutations and cancer, is surveyed. Reference is made to the necessity of improving the ICRP system, currently based on the critical organ concept, by recognising the need for summation of risks in other organs where exposure to Pu is concerned. Improved biological understanding particularly that of hereditary damage, in recent years leads to less pessimistic thinking on the effects of ionizing radiations. The immediate need appears to be for consistency in safety standards. (U.K.)
Comparing Panelists' Understanding of Standard Setting across Multiple Levels of an Alternate Science Assessment

Science.gov (United States)

Hansen, Mary A.; Lyon, Steven R.; Heh, Peter; Zigmond, Naomi

2013-01-01

Large-scale assessment programs, including alternate assessments based on alternate achievement standards (AA-AAS), must provide evidence of technical quality and validity. This study provides information about the technical quality of one AA-AAS by evaluating the standard setting for the science component. The assessment was designed to have…
Basis Set Convergence of Indirect Spin-Spin Coupling Constants in the Kohn-Sham Limit for Several Small Molecules

Czech Academy of Sciences Publication Activity Database

Kupka, T.; Nieradka, M.; Stachów, M.; Pluta, T.; Nowak, P.; Kjaer, H.; Kongsted, J.; Kaminský, Jakub

2012-01-01

Roč. 116, č. 14 (2012), s. 3728-3738 ISSN 1089-5639 R&D Projects: GA ČR GPP208/10/P356 Institutional research plan: CEZ:AV0Z40550506 Keywords : consistent basis-sets * density-functional methods * ab-inition calculations * polarization propagator approximation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012
Legal consequences of standard setting for competitive athletes with cardiovascular abnormalities.

Science.gov (United States)

Weistart, J C

1985-12-01

This paper addresses the issue of whether establishing consensus standards for the treatment of particular medical conditions increases a physician's exposure to legal liability. The conclusion reached is that the legal effects of standard setting, rather than representing a significant threat of liability, should be seen as beneficial to the medical profession. A fundamental point is that the legal test for liability is entirely dependent on the medical profession's definition of what constitutes adequate care. The law incorporates the standard of care defined by the medical profession and does not impose an external norm. In the absence of formally stated standards, the process of defining relevant medical criteria will involve a great deal of uncertainty. Outcomes of legal contests will be affected by such extraneous factors as the relative experience of the lawyers involved, their access to knowledgeable expert witnesses, and their strategic decisions made with respect to tactics and procedures. Establishment of formal standards has the salutory effect of limiting the influence of these factors and thus reducing the randomness of the results reached. Formal standards also have the advantage of being easily replicated in unrelated proceedings and thereby contribute to the development of a consistent, evenly applied rule of liability. Finally, even if formal standards are either more, or less, progressive than the actual state of medical practice, there is relatively little risk that they will produce untoward results.
Accounting for human variability and sensitivity in setting standards for electromagnetic fields.

Science.gov (United States)

Bailey, William H; Erdreich, Linda S

2007-06-01

Biological sensitivity and variability are key issues for risk assessment and standard setting. Variability encompasses general inter-individual variations in population responses, while sensitivity relates to unusual or extreme responses based on genetic, congenital, medical, or environmental conditions. For risk assessment and standard setting, these factors affect estimates of thresholds for effects and dose-response relationships and inform efforts to protect the more sensitive members of the population, not just the typical or average person. While issues of variability and sensitivity can be addressed by experimental and clinical studies of electromagnetic fields, investigators have paid little attention to these important issues. This paper provides examples that illustrate how default assumptions regarding variability can be incorporated into estimates of 60-Hz magnetic field exposures with no risk of cardiac stimulation and how population thresholds and variability of peripheral nerve stimulation responses at 60-Hz can be estimated from studies of pulsed gradient magnetic fields in magnetic resonance imaging studies. In the setting of standards for radiofrequency exposures, the International Commission for Non-Ionizing Radiation Protection uses inter-individual differences in thermal sensitivity as one of the considerations in the development of "safety factors." However, neither the range of sensitivity nor the sufficiency or excess of the 10-fold and the additional 5-fold safety factors have been assessed quantitatively. Data on the range of responses between median and sensitive individuals regarding heat stress and cognitive function should be evaluated to inform a reassessment of these safety factors and to identify data gaps.
Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

Energy Technology Data Exchange (ETDEWEB)

Hsu, Po Jen; Lai, S. K., E-mail: sklai@coll.phy.ncu.edu.tw [Complex Liquids Laboratory, Department of Physics, National Central University, Chungli 320, Taiwan and Molecular Science and Technology Program, Taiwan International Graduate Program, Academia Sinica, Taipei 115, Taiwan (China); Rapallo, Arnaldo [Istituto per lo Studio delle Macromolecole (ISMAC) Consiglio Nazionale delle Ricerche (CNR), via E. Bassini 15, C.A.P 20133 Milano (Italy)

2014-03-14

Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit
Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

International Nuclear Information System (INIS)

Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

2014-01-01

Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit
Relaxation of functions of STO-3G and 6-31G* basis sets in the series of isoelectronic to LiF molecule

International Nuclear Information System (INIS)

Ermakov, A.I.; Belousov, V.V.

2007-01-01

Relaxation effect of functions of the basis sets (BS) STO-3G and 6-31G* on their equilibration in the series of isoelectron molecules: LiF, BeO, BN and C 2 is considered. Values of parameters (exponential factor of basis functions, orbital exponents of Gauss primitives and coefficients of their grouping) of basis functions in molecules are discovered using the criterion of minimum of energy by the unlimited Hartree-Fock method calculations (UHF) with the help of direct optimization of parameters: the simplex-method and Rosenbrock method. Certain schemes of optimization differing by the amount of varying parameters have been done. Interaction of basis functions parameters of concerned sets through medium values of the Gauss exponents is established. Effects of relaxation on the change of full energy and relative errors of the calculations of interatomic distances, normal oscillations frequencies, dissociation energy and other properties of molecules are considered. Change of full energy during the relaxation of basis functions (RBF) STO-3G and 6-31G* amounts 1100 and 80 kJ/mol correspondingly, and it is in need of the account during estimation of energetic characteristics, especially for systems with high-polar chemical bonds. The relaxation BS STO-3G practically in all considered cases improves description of molecular properties, whereas the relaxation BS 6-31G* lightly effects on its equilibration [ru
Numerical Aspects of Atomic Physics: Helium Basis Sets and Matrix Diagonalization

Science.gov (United States)

Jentschura, Ulrich; Noble, Jonathan

2014-03-01

We present a matrix diagonalization algorithm for complex symmetric matrices, which can be used in order to determine the resonance energies of auto-ionizing states of comparatively simple quantum many-body systems such as helium. The algorithm is based in multi-precision arithmetic and proceeds via a tridiagonalization of the complex symmetric (not necessarily Hermitian) input matrix using generalized Householder transformations. Example calculations involving so-called PT-symmetric quantum systems lead to reference values which pertain to the imaginary cubic perturbation (the imaginary cubic anharmonic oscillator). We then proceed to novel basis sets for the helium atom and present results for Bethe logarithms in hydrogen and helium, obtained using the enhanced numerical techniques. Some intricacies of ``canned'' algorithms such as those used in LAPACK will be discussed. Our algorithm, for complex symmetric matrices such as those describing cubic resonances after complex scaling, is faster than LAPACK's built-in routines, for specific classes of input matrices. It also offer flexibility in terms of the calculation of the so-called implicit shift, which is used in order to ``pivot'' the system toward the convergence to diagonal form. We conclude with a wider overview.
Dynamic sensitivity analysis of long running landslide models through basis set expansion and meta-modelling

Science.gov (United States)

Rohmer, Jeremy

2016-04-01

Predicting the temporal evolution of landslides is typically supported by numerical modelling. Dynamic sensitivity analysis aims at assessing the influence of the landslide properties on the time-dependent predictions (e.g., time series of landslide displacements). Yet two major difficulties arise: 1. Global sensitivity analysis require running the landslide model a high number of times (> 1000), which may become impracticable when the landslide model has a high computation time cost (> several hours); 2. Landslide model outputs are not scalar, but function of time, i.e. they are n-dimensional vectors with n usually ranging from 100 to 1000. In this article, I explore the use of a basis set expansion, such as principal component analysis, to reduce the output dimensionality to a few components, each of them being interpreted as a dominant mode of variation in the overall structure of the temporal evolution. The computationally intensive calculation of the Sobol' indices for each of these components are then achieved through meta-modelling, i.e. by replacing the landslide model by a "costless-to-evaluate" approximation (e.g., a projection pursuit regression model). The methodology combining "basis set expansion - meta-model - Sobol' indices" is then applied to the La Frasse landslide to investigate the dynamic sensitivity analysis of the surface horizontal displacements to the slip surface properties during the pore pressure changes. I show how to extract information on the sensitivity of each main modes of temporal behaviour using a limited number (a few tens) of long running simulations. In particular, I identify the parameters, which trigger the occurrence of a turning point marking a shift between a regime of low values of landslide displacements and one of high values.

Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors.

Science.gov (United States)

Chacon-Madrid, Heber J; Murphy, Benjamin N; Pandis, Spyros N; Donahue, Neil M

2012-10-16

We use a two-dimensional volatility basis set (2D-VBS) box model to simulate secondary organic aerosol (SOA) mass yields of linear oxygenated molecules: n-tridecanal, 2- and 7-tridecanone, 2- and 7-tridecanol, and n-pentadecane. A hybrid model with explicit, a priori treatment of the first-generation products for each precursor molecule, followed by a generic 2D-VBS mechanism for later-generation chemistry, results in excellent model-measurement agreement. This strongly confirms that the 2D-VBS mechanism is a predictive tool for SOA modeling but also suggests that certain important first-generation products for major primary SOA precursors should be treated explicitly for optimal SOA predictions.
Standard guidelines for setting up a dermatosurgery theatre

Directory of Open Access Journals (Sweden)

Rajendran S

2009-08-01

Full Text Available Introduction, definition, rationale and scope: Dermatologists in India are now increasingly performing surgical and cosmetic procedures in their practice. This calls for minimum standards at the national level with the main focus of patient safety and hence the guidelines for setting up a dermatosurgical theatre. Facility: The dermatosurgery theatre can be created in either physician′s clinic, or a hospital depending on the procedure to be performed. The dermatosurgery theatre requires careful planning with regards to - location, dimension, shell design, lighting, electrical requirements, operation table, chair, trolley, surgical instruments, sterilization of devices, asepsis and advanced life support. Apart from physical considerations, other considerations including theatre etiquettes, consent for surgery, safety of dermatosurgeon, theatre staff and lastly biomedical waste management should be looked into. These issues are discussed in detail in the recommendations.
[Prediction of the total Japanese cedar pollen counts based on male flower-setting conditions of standard trees].

Science.gov (United States)

Yuta, Atsushi; Ukai, Kotaro; Sakakura, Yasuo; Tani, Hideshi; Matsuda, Fukiko; Yang, Tian-qun; Majima, Yuichi

2002-07-01

We made a prediction of the Japanese cedar (Cryptomeria japonica) pollen counts at Tsu city based on male flower-setting conditions of standard trees. The 69 standard trees from 23 kinds of clones, planted at Mie Prefecture Science and Technology Promotion Center (Hakusan, Mie) in 1964, were selected. Male flower-setting conditions for 276 faces (69 trees x 4 points of the compass) were scored from 0 to 3. The average of scores and total pollen counts from 1988 to 2000 was analyzed. As the results, the average scores from standard trees and total pollen counts except two mass pollen-scattered years in 1995 and 2000 had a positive correlation (r = 0.914) by linear function. On the mass pollen-scattered years, pollen counts were influenced from the previous year. Therefore, the score of the present year minus that of the previous year were used for analysis. The average scores from male flower-setting conditions and pollen counts had a strong positive correlation (r = 0.994) when positive scores by taking account of the previous year were analyzed. We conclude that prediction of pollen counts are possible based on the male flower-setting conditions of standard trees.
75 FR 62686 - Health Information Technology: Revisions to Initial Set of Standards, Implementation...

Science.gov (United States)

2010-10-13

... Health Information Technology: Revisions to Initial Set of Standards, Implementation Specifications, and... Health Information Technology (ONC), Department of Health and Human Services. ACTION: Interim final rule... Coordinator for Health Information Technology, Attention: Steven Posnack, Hubert H. Humphrey Building, Suite...
An Investigation of Undefined Cut Scores with the Hofstee Standard-Setting Method

Science.gov (United States)

Wyse, Adam E.; Babcock, Ben

2017-01-01

This article provides an overview of the Hofstee standard-setting method and illustrates several situations where the Hofstee method will produce undefined cut scores. The situations where the cut scores will be undefined involve cases where the line segment derived from the Hofstee ratings does not intersect the score distribution curve based on…
Secondary electron images obtained with a standard photoelectron emission microscope set-up

International Nuclear Information System (INIS)

Benka, Oswald; Zeppenfeld, Peter

2005-01-01

The first results of secondary electron images excited by 3-4.3 keV electrons are presented. The images are obtained with a standard FOCUS-PEEM set-up equipped with an imaging energy filter (IEF). The electron gun was mounted on a standard PEEM entrance flange at an angle of 25 deg. with respect to the sample surface. A low extraction voltage of 500 V was used to minimize the deflection of the electron beam by the PEEM extraction electrode. The secondary electron images are compared to photoelectron images excited by a standard 4.9 eV UV lamp. In the case of a Cu pattern on a Si substrate it is found that the lateral resolution without the IEF is about the same for electron and photon excitation but that the relative electron emission intensities are very different. The use of the IEF reduces the lateral resolution. Images for secondary electron energies between eV 1 and eV 2 were obtained by setting the IEF to -V 1 and -V 2 ∼-(V 1 +5V) potentials and taking the difference of both images. Images up to 100 eV electron energies were recorded. The material contrast obtained in these difference images is discussed in terms of a secondary electron and photoelectron emission model and secondary electron energy spectra measured with a LEED-Auger spectrometer
Background to the development process, Automated Residential Energy Standard (ARES) in support of proposed interim energy conservation voluntary performance standards for new non-federal residential buildings: Volume 3

Energy Technology Data Exchange (ETDEWEB)

NONE

1989-09-01

This report documents the development and testing of a set of recommendations generated to serve as a primary basis for the Congressionally-mandated residential standard. This report treats only the residential building recommendations.
75 FR 44589 - Health Information Technology: Initial Set of Standards, Implementation Specifications, and...

Science.gov (United States)

2010-07-28

... Part III Department of Health and Human Services 45 CFR Part 170 Health Information Technology... Secretary 45 CFR Part 170 RIN 0991-AB58 Health Information Technology: Initial Set of Standards... of the National Coordinator for Health Information Technology (ONC), Department of Health and Human...
IPMA Standard Competence Scope in Project Management Education

Science.gov (United States)

Bartoška, Jan; Flégl, Martin; Jarkovská, Martina

2012-01-01

The authors of the paper endeavoured to find out key competences in IPMA standard for educational approaches in project management. These key competences may be used as a basis for project management university courses. An incidence matrix was set up, containing relations between IPMA competences described in IPMA competence baseline. Further,…
78 FR 1133 - Noise Certification Standards for Tiltrotors

Science.gov (United States)

2013-01-08

... by the term ``reference''. Fourth, the final rule adds the phrase ``throughout the 10 dB-down time... they be the basis of U.S. standards. Fourth, the Unfunded Mandates Reform Act of 1995 (Pub. L. 104-4... (axis aligned horizontally) and rotor speed set to cruise revolutions per minute (RPM). Airplane mode...
How many standard area diagram sets are needed for accurate disease severity assessment

Science.gov (United States)

Standard area diagram sets (SADs) are widely used in plant pathology: a rater estimates disease severity by comparing an unknown sample to actual severities in the SADs and interpolates an estimate as accurately as possible (although some SADs have been developed for categorizing disease too). Most ...
Assessing the reliability of the borderline regression method as a standard setting procedure for objective structured clinical examination

Directory of Open Access Journals (Sweden)

Sara Mortaz Hejri

2013-01-01

Full Text Available Background: One of the methods used for standard setting is the borderline regression method (BRM. This study aims to assess the reliability of BRM when the pass-fail standard in an objective structured clinical examination (OSCE was calculated by averaging the BRM standards obtained for each station separately. Materials and Methods: In nine stations of the OSCE with direct observation the examiners gave each student a checklist score and a global score. Using a linear regression model for each station, we calculated the checklist score cut-off on the regression equation for the global scale cut-off set at 2. The OSCE pass-fail standard was defined as the average of all station′s standard. To determine the reliability, the root mean square error (RMSE was calculated. The R2 coefficient and the inter-grade discrimination were calculated to assess the quality of OSCE. Results: The mean total test score was 60.78. The OSCE pass-fail standard and its RMSE were 47.37 and 0.55, respectively. The R2 coefficients ranged from 0.44 to 0.79. The inter-grade discrimination score varied greatly among stations. Conclusion: The RMSE of the standard was very small indicating that BRM is a reliable method of setting standard for OSCE, which has the advantage of providing data for quality assurance.
Psychometric aspects of item mapping for criterion-referenced interpretation and bookmark standard setting.

Science.gov (United States)

Huynh, Huynh

2010-01-01

Locating an item on an achievement continuum (item mapping) is well-established in technical work for educational/psychological assessment. Applications of item mapping may be found in criterion-referenced (CR) testing (or scale anchoring, Beaton and Allen, 1992; Huynh, 1994, 1998a, 2000a, 2000b, 2006), computer-assisted testing, test form assembly, and in standard setting methods based on ordered test booklets. These methods include the bookmark standard setting originally used for the CTB/TerraNova tests (Lewis, Mitzel, Green, and Patz, 1999), the item descriptor process (Ferrara, Perie, and Johnson, 2002) and a similar process described by Wang (2003) for multiple-choice licensure and certification examinations. While item response theory (IRT) models such as the Rasch and two-parameter logistic (2PL) models traditionally place a binary item at its location, Huynh has argued in the cited papers that such mapping may not be appropriate in selecting items for CR interpretation and scale anchoring.
Electronic structure of crystalline uranium nitrides UN, U2N3 and UN2: LCAO calculations with the basis set optimization

International Nuclear Information System (INIS)

Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V

2008-01-01

The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U 2 N 3 and UN 2 are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U 2 N 3 crystals; UN 2 crystal has the semiconducting nature
Using intranet-based order sets to standardize clinical care and prepare for computerized physician order entry.

Science.gov (United States)

Heffner, John E; Brower, Kathleen; Ellis, Rosemary; Brown, Shirley

2004-07-01

The high cost of computerized physician order entry (CPOE) and physician resistance to standardized care have delayed implementation. An intranet-based order set system can provide some of CPOE's benefits and offer opportunities to acculturate physicians toward standardized care. INTRANET CLINICIAN ORDER FORMS (COF): The COF system at the Medical University of South Carolina (MUSC) allows caregivers to enter and print orders through the intranet at points of care and to access decision support resources. Work on COF began in March 2000 with transfer of 25 MUSC paper-based order set forms to an intranet site. Physician groups developed additional order sets, which number more than 200. Web traffic increased progressively during a 24-month period, peaking at more than 6,400 hits per month to COF. Decision support tools improved compliance with Centers for Medicare & Medicaid Services core indicators. Clinicians demonstrated a willingness to develop and use order sets and decision support tools posted on the COF site. COF provides a low-cost method for preparing caregivers and institutions to adopt CPOE and standardization of care. The educational resources, relevant links to external resources, and communication alerts will all link to CPOE, thereby providing a head start in CPOE implementation.
Calculations of wavefunctions and energies of electron system in Coulomb potential by variational method without a basis set

International Nuclear Information System (INIS)

Bykov, V.P.; Gerasimov, A.V.

1992-08-01

A new variational method without a basis set for calculation of the eigenvalues and eigenfunctions of Hamiltonians is suggested. The expansion of this method for the Coulomb potentials is given. Calculation of the energy and charge distribution in the two-electron system for different values of the nuclear charge Z is made. It is shown that at small Z the Coulomb forces disintegrate the electron cloud into two clots. (author). 3 refs, 4 figs, 1 tab
A Comparison of Standard-Setting Procedures for an OSCE in Undergraduate Medical Education.

Science.gov (United States)

Kaufman, David M.; Mann, Karen V.; Muijtjens, Arno M. M.; van der Vleuten, Cees P. M.

2000-01-01

Compared four standard-setting procedures for an objective structure clinical examination (OSCE) in medical education. Applied Angoff, borderline, relative, and holistic procedures to the data used to establish a cutoff score for a pass/fail decision. The Angoff and borderline procedures gave similar results; however, the relative and holistic…
Setting a national minimum standard for health benefits: how do state benefit mandates compare with benefits in large-group plans?

Science.gov (United States)

Frey, Allison; Mika, Stephanie; Nuzum, Rachel; Schoen, Cathy

2009-06-01

Many proposed health insurance reforms would establish a federal minimum benefit standard--a baseline set of benefits to ensure that people have adequate coverage and financial protection when they purchase insurance. Currently, benefit mandates are set at the state level; these vary greatly across states and generally target specific areas rather than set an overall standard for what qualifies as health insurance. This issue brief considers what a broad federal minimum standard might look like by comparing existing state benefit mandates with the services and providers covered under the Federal Employees Health Benefits Program (FEHBP) Blue Cross and Blue Shield standard benefit package, an example of minimum creditable coverage that reflects current standard practice among employer-sponsored health plans. With few exceptions, benefits in the FEHBP standard option either meet or exceed those that state mandates require-indicating that a broad-based national benefit standard would include most existing state benefit mandates.
Harmonized technical standards in the nuclear field

International Nuclear Information System (INIS)

Carbone, Ferdinando

1976-01-01

The need was felt of harmonizing and gradually standardizing technical norms, from the well-known Anglo-Saxon type codes of practice to the equally well-known recommendations of the International Commission on Radiological Protection (ICRP). The latter provide the basis for the Euratom Directives (basic standards), which, following their adoption, were embodied in the national laws of community Member countries. ISO (International Standardization Organization) is active in the nuclear technical regulations field, in particular through its Committee ISO/TC 85 ''Nuclear Energy'' at international level and, in Italy, through the National Italian Unification Agency (UNI) and its Nuclear Unification Commission (UNICEN). At its XI plenary meeting this body, on the proposal of the Secretary-General, set up a Study Group to promote revision of the regulation in force and coordination between legislation and development of UNICEN standards, considered as a set of integrative industrial technical standards. CISDEN, the Italian Nuclear Energy Forum (FIEN) and other interested organizations have been invited to collaborate in this work. (N.E.A.)
Setting standards of restorative justice

Directory of Open Access Journals (Sweden)

Kostić Miomira

2007-01-01

Full Text Available In the article the author deals with the basic theoretical statements and discussions about the practical use of restorative justice. She discusses the questions of introducing and application of restorative justice in order to reach the balance of interests between a victim, society and a delinquent. There is no unique statement about the restorative justice concept, so the authors make this concept by listing certain activities with rispect of standards and principles. Also she emphasizes the values of restorative justice process. A part of the article is dedicated to the standards for restorative justice that are harmonized with the international documents of human rights. .

Development of spatial data guidelines and standards: spatial data set documentation to support hydrologic analysis in the U.S. Geological Survey

Science.gov (United States)

Fulton, James L.

1992-01-01

Spatial data analysis has become an integral component in many surface and sub-surface hydrologic investigations within the U.S. Geological Survey (USGS). Currently, one of the largest costs in applying spatial data analysis is the cost of developing the needed spatial data. Therefore, guidelines and standards are required for the development of spatial data in order to allow for data sharing and reuse; this eliminates costly redevelopment. In order to attain this goal, the USGS is expanding efforts to identify guidelines and standards for the development of spatial data for hydrologic analysis. Because of the variety of project and database needs, the USGS has concentrated on developing standards for documenting spatial sets to aid in the assessment of data set quality and compatibility of different data sets. An interim data set documentation standard (1990) has been developed that provides a mechanism for associating a wide variety of information with a data set, including data about source material, data automation and editing procedures used, projection parameters, data statistics, descriptions of features and feature attributes, information on organizational contacts lists of operations performed on the data, and free-form comments and notes about the data, made at various times in the evolution of the data set. The interim data set documentation standard has been automated using a commercial geographic information system (GIS) and data set documentation software developed by the USGS. Where possible, USGS developed software is used to enter data into the data set documentation file automatically. The GIS software closely associates a data set with its data set documentation file; the documentation file is retained with the data set whenever it is modified, copied, or transferred to another computer system. The Water Resources Division of the USGS is continuing to develop spatial data and data processing standards, with emphasis on standards needed to support
Algebraic Specifications, Higher-order Types and Set-theoretic Models

DEFF Research Database (Denmark)

Kirchner, Hélène; Mosses, Peter David

2001-01-01

, and power-sets. This paper presents a simple framework for algebraic specifications with higher-order types and set-theoretic models. It may be regarded as the basis for a Horn-clause approximation to the Z framework, and has the advantage of being amenable to prototyping and automated reasoning. Standard......In most algebraic specification frameworks, the type system is restricted to sorts, subsorts, and first-order function types. This is in marked contrast to the so-called model-oriented frameworks, which provide higer-order types, interpreted set-theoretically as Cartesian products, function spaces...... set-theoretic models are considered, and conditions are given for the existence of initial reduct's of such models. Algebraic specifications for various set-theoretic concepts are considered....
Vibrational frequency scaling factors for correlation consistent basis sets and the methods CC2 and MP2 and their spin-scaled SCS and SOS variants

Energy Technology Data Exchange (ETDEWEB)

Friese, Daniel H., E-mail: daniel.h.friese@uit.no [Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Tromsø, N-9037 Tromsø (Norway); Törk, Lisa; Hättig, Christof, E-mail: christof.haettig@rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44801 Bochum (Germany)

2014-11-21

We present scaling factors for vibrational frequencies calculated within the harmonic approximation and the correlated wave-function methods coupled cluster singles and doubles model (CC2) and Møller-Plesset perturbation theory (MP2) with and without a spin-component scaling (SCS or spin-opposite scaling (SOS)). Frequency scaling factors and the remaining deviations from the reference data are evaluated for several non-augmented basis sets of the cc-pVXZ family of generally contracted correlation-consistent basis sets as well as for the segmented contracted TZVPP basis. We find that the SCS and SOS variants of CC2 and MP2 lead to a slightly better accuracy for the scaled vibrational frequencies. The determined frequency scaling factors can also be used for vibrational frequencies calculated for excited states through response theory with CC2 and the algebraic diagrammatic construction through second order and their spin-component scaled variants.
Basis set expansion for inverse problems in plasma diagnostic analysis

Energy Technology Data Exchange (ETDEWEB)

Jones, B.; Ruiz, C. L. [Sandia National Laboratories, PO Box 5800, Albuquerque, New Mexico 87185 (United States)

2013-07-15

A basis set expansion method [V. Dribinski, A. Ossadtchi, V. A. Mandelshtam, and H. Reisler, Rev. Sci. Instrum. 73, 2634 (2002)] is applied to recover physical information about plasma radiation sources from instrument data, which has been forward transformed due to the nature of the measurement technique. This method provides a general approach for inverse problems, and we discuss two specific examples relevant to diagnosing fast z pinches on the 20–25 MA Z machine [M. E. Savage, L. F. Bennett, D. E. Bliss, W. T. Clark, R. S. Coats, J. M. Elizondo, K. R. LeChien, H. C. Harjes, J. M. Lehr, J. E. Maenchen, D. H. McDaniel, M. F. Pasik, T. D. Pointon, A. C. Owen, D. B. Seidel, D. L. Smith, B. S. Stoltzfus, K. W. Struve, W. A. Stygar, L. K. Warne, J. R. Woodworth, C. W. Mendel, K. R. Prestwich, R. W. Shoup, D. L. Johnson, J. P. Corley, K. C. Hodge, T. C. Wagoner, and P. E. Wakeland, in Proceedings of the Pulsed Power Plasma Sciences Conference (IEEE, 2007), p. 979]. First, Abel inversion of time-gated, self-emission x-ray images from a wire array implosion is studied. Second, we present an approach for unfolding neutron time-of-flight measurements from a deuterium gas puff z pinch to recover information about emission time history and energy distribution. Through these examples, we discuss how noise in the measured data limits the practical resolution of the inversion, and how the method handles discontinuities in the source function and artifacts in the projected image. We add to the method a propagation of errors calculation for estimating uncertainties in the inverted solution.
Existing and future international standards for the safety of radioactive waste disposal

International Nuclear Information System (INIS)

Linsley, G.

1999-01-01

In this paper the essential features of the current international safety standards are summarised and the issues being raised for inclusion in future standards are discussed. The safety standards of the IAEA are used as the basis for the review and discussion. The IAEA has established a process for establishing international standards of safety for radioactive waste management through its Radioactive Waste Safety Standards (RADWASS) programme. The RADWASS documents are approved by a comprehensive process involving regulatory and other experts from all concerned IAEA Member States. A system of committees for approving the IAEAs safety standards has been established. For radioactive waste safety the committee for review and approval is the Waste Safety Standards Advisory Committee (WASSAC). In 1995 the IAEA published 'The Principles of Radioactive Waste Management' as the top level document in the RADWASS programme. The report sets out the basis principles which most experts believe are fundamental to the safe management of radioactive wastes
Gas industry standards board: Legal considerations in the standard setting process

Energy Technology Data Exchange (ETDEWEB)

Mishkin, M.T.; Adelman, D.I.

1994-01-01

On December 23, 1993, the Federal Energy Regulatory Commission (FERC) issued Order 563, a Final Rule adopting the agreements of informal industry-wide working groups to standardize information relating to pipeline capacity release programs mandated under Order 636. Order 563 is noteworthy for its reliance upon the industry to develop consensus standards for Commission adoption. The industry's success in reaching agreements on key communication standards issues spawned recommendations from the working groups to continue the development and maintenance of industry-wide standards through a permanent Gas Industry Standards Board (GISB). This article examines legal issues bearing on GISB's potential role in the regulatory process. Specifically, this article addresses constitutional and statutory considerations relating to the FERC's authority to delegate certain responsibilities to a voluntary, industry sponsored and supported private body such as that taking shape within the gas industry.
Need for reaction coordinates to ensure a complete basis set in an adiabatic representation of ion-atom collisions

Science.gov (United States)

Rabli, Djamal; McCarroll, Ronald

2018-02-01

This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.
Integrated methodology for standard-setting norms of innovative product in the new competitive environment

Science.gov (United States)

Polyakova, Marina; Rubin, Gennadiy

2017-07-01

Modern theory of technological and economical development is based on long-term cycles. So far it has been proved that the technological structure of the economy can be subdivided into groups of technological complexes, which are inter-related with each other by similar technological links, so called technological modes. Technological mode is defined as a complex of interrelated production units of similar technological level, which develop simultaneously. In order to provide competitiveness of products in the new changing conditions, it is necessary to make sure that they meet all the regulatory requirements specified in standards. But the existing and the fast changing situation on the merchandise markets causes disbalance between the growing customer requirements and the technological capabilities of the manufacturer. This makes the issue of standardization development even more urgent both from the point of view of establishing the current positions and from the point of view of possible promising development trends in technology. In the paper scientific and engineering principles of developing standardization as a science are described. It is shown that further development of standardization is based on the principles of advanced standardization the main idea of which is to set up the prospective requirements to the innovative product. Modern approaches of advanced standardization are shown in this paper. The complexity of the negotiation procedure between customer and manufacturer as a whole and achieving of consensus, in particular, make it necessary to find conceptually new approaches to developing mathematical models. The developed methodology picture the process of achieving the consensus between customer and manufacturer while developing the standard norms in the form of decreasing S-curve diagram. It means that in the end of the negotiation process, there is no difference between customer and manufacturer positions. It makes it possible to provide the
Kinetic Analysis of the Multivalent Ligand Binding Interaction between Protein A/G and IgG: A Standard System Setting.

Science.gov (United States)

Reader, Peter P; Shaw, Andrew M

2017-09-28

Recombinant protein A/G (PAG) has a sequence coding for eight IgG binding sites and has enhanced interspecies affinity. High-frequency sampling of a PAG titration with IgG produces concentration profiles that are sensitive to the kinetic availability of the binding sites. The full kinetic model developed here for IgG binding sequentially to PAG shows only two distinct kinetic processes, describing an initial rapid association of two antibodies to PAG with a rate constant k-fast = (1.86 ± 0.08) × 10 6 M -1 s -1 and a slower antibody binding process to all remaining sites, k-slow = (1.24 ± 0.05) × 10 4 M -1 s -1 . At equilibrium (after 1 h), the maximum IgG occupancy of PAG is 2.8 ± 0.5, conflicting with the genetic evidence of eight binding sites and suggesting significant steric hindrance of the neighboring IgG binding sites. The phosphate-buffered saline (PBS) solution defines a standard system setting, and this may be compared with other settings. The mean association rate of PAG-IgG n in the standard setting is 282 ± 20% higher than when PAG is tethered to a surface. A systems biology approach requires that a model parameter set that defines a system in a standard setting should be transferable to another system. The transfer of parameters between settings may be performed using activity coefficients characterizing an effective concentration of species in a system, a i = γ i c i . The activity correction, γ, for the eight-site occupancy is γ = 0.35 ± 0.06, and mapping from the standard setting to the solution setting suggests γ PAG-IgG = 0.4 ± 0.03. The role of activity coefficients and transferability of kinetic parameters between system settings is discussed.
Conceptual basis for prescriptive growth standards from conception to early childhood: present and future.

Science.gov (United States)

Uauy, R; Casanello, P; Krause, B; Kuzanovic, J P; Corvalan, C

2013-09-01

Healthy growth in utero and after birth is fundamental for lifelong health and wellbeing. The World Health Organization (WHO) recently published standards for healthy growth from birth to 6 years of age; analogous standards for healthy fetal growth are not currently available. Current fetal growth charts in use are not true standards, since they are based on cross-sectional measurements of attained size under conditions that do not accurately reflect normal growth. In most cases, the pregnant populations and environments studied are far from ideal; thus the data are unlikely to reflect optimal fetal growth. A true standard should reflect how fetuses and newborns 'should' grow under ideal environmental conditions. The development of prescriptive intrauterine and newborn growth standards derived from the INTERGROWTH-21(st) Project provides the data that will allow us for the first time to establish what is 'normal' fetal growth. The INTERGROWTH-21(st) study centres provide the data set obtained under pre-established standardised criteria, and details of the methods used are also published. Multicentre study with sites in all major geographical regions of the world using a standard evaluation protocol. These standards will assess risk of abnormal size at birth and serve to evaluate potentially effective interventions to promote optimal growth beyond securing survival. The new normative standards have the potential to impact perinatal and neonatal survival and beyond, particularly in developing countries where fetal growth restriction is most prevalent. They will help us identify intrauterine growth restriction at earlier stages of development, when preventive or corrective strategies might be more effective than at present. These growth standards will take us one step closer to effective action in preventing and potentially reversing abnormal intrauterine growth. Achieving 'optimal' fetal growth requires that we act not only during pregnancy but that we optimize the
Setting Proficiency Standards for School Leadership Assessment: An Examination of Cut Score Decision Making

Science.gov (United States)

Cravens, Xiu Chen; Goldring, Ellen B.; Porter, Andrew C.; Polikoff, Morgan S.; Murphy, Joseph; Elliott, Stephen N.

2013-01-01

Purpose: Performance evaluation informs professional development and helps school personnel improve student learning. Although psychometric literature indicates that a rational, sound, and coherent standard-setting process adds to the credibility of an assessment, few studies have empirically examined the decision-making process. This article…
A standardized set of 3-D objects for virtual reality research and applications.

Science.gov (United States)

Peeters, David

2018-06-01

The use of immersive virtual reality as a research tool is rapidly increasing in numerous scientific disciplines. By combining ecological validity with strict experimental control, immersive virtual reality provides the potential to develop and test scientific theories in rich environments that closely resemble everyday settings. This article introduces the first standardized database of colored three-dimensional (3-D) objects that can be used in virtual reality and augmented reality research and applications. The 147 objects have been normed for name agreement, image agreement, familiarity, visual complexity, and corresponding lexical characteristics of the modal object names. The availability of standardized 3-D objects for virtual reality research is important, because reaching valid theoretical conclusions hinges critically on the use of well-controlled experimental stimuli. Sharing standardized 3-D objects across different virtual reality labs will allow for science to move forward more quickly.
Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

Science.gov (United States)

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

2012-10-01

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.
Basis set expansion for inverse problems in plasma diagnostic analysis

Science.gov (United States)

Jones, B.; Ruiz, C. L.

2013-07-01

A basis set expansion method [V. Dribinski, A. Ossadtchi, V. A. Mandelshtam, and H. Reisler, Rev. Sci. Instrum. 73, 2634 (2002)], 10.1063/1.1482156 is applied to recover physical information about plasma radiation sources from instrument data, which has been forward transformed due to the nature of the measurement technique. This method provides a general approach for inverse problems, and we discuss two specific examples relevant to diagnosing fast z pinches on the 20-25 MA Z machine [M. E. Savage, L. F. Bennett, D. E. Bliss, W. T. Clark, R. S. Coats, J. M. Elizondo, K. R. LeChien, H. C. Harjes, J. M. Lehr, J. E. Maenchen, D. H. McDaniel, M. F. Pasik, T. D. Pointon, A. C. Owen, D. B. Seidel, D. L. Smith, B. S. Stoltzfus, K. W. Struve, W. A. Stygar, L. K. Warne, J. R. Woodworth, C. W. Mendel, K. R. Prestwich, R. W. Shoup, D. L. Johnson, J. P. Corley, K. C. Hodge, T. C. Wagoner, and P. E. Wakeland, in Proceedings of the Pulsed Power Plasma Sciences Conference (IEEE, 2007), p. 979]. First, Abel inversion of time-gated, self-emission x-ray images from a wire array implosion is studied. Second, we present an approach for unfolding neutron time-of-flight measurements from a deuterium gas puff z pinch to recover information about emission time history and energy distribution. Through these examples, we discuss how noise in the measured data limits the practical resolution of the inversion, and how the method handles discontinuities in the source function and artifacts in the projected image. We add to the method a propagation of errors calculation for estimating uncertainties in the inverted solution.
Three-body problem in quantum mechanics: Hyperspherical elliptic coordinates and harmonic basis sets

International Nuclear Information System (INIS)

Aquilanti, Vincenzo; Tonzani, Stefano

2004-01-01

Elliptic coordinates within the hyperspherical formalism for three-body problems were proposed some time ago [V. Aquilanti, S. Cavalli, and G. Grossi, J. Chem. Phys. 85, 1362 (1986)] and recently have also found application, for example, in chemical reaction theory [see O. I. Tolstikhin and H. Nakamura, J. Chem. Phys. 108, 8899 (1998)]. Here we consider their role in providing a smooth transition between the known 'symmetric' and 'asymmetric' parametrizations, and focus on the corresponding hyperspherical harmonics. These harmonics, which will be called hyperspherical elliptic, involve products of two associated Lame polynomials. We will provide an expansion of these new sets in a finite series of standard hyperspherical harmonics, producing a powerful tool for future applications in the field of scattering and bound-state quantum-mechanical three-body problems
Common basis of establishing safety standards and other safety decision-making levels for different sources of health risk

International Nuclear Information System (INIS)

Demin, V.F.

2002-01-01

Current approaches in establishing safety standards and other decision-making levels for different sources of health risk are critically analysed. To have a common basis for this decision-making a specific risk index R is recommended. In the common sense R is quantitatively defined as LLE caused by the annual exposure to the risk source considered: R = annual exposure, damage (LLE) from the exposure unit. This common definition is also rewritten in specific forms for a set of different risk sources (ionising radiation, chemical pollutants, etc): for different risk sources the exposure can be measured with different quantities (the probability of death, the exposure dose, etc.). R is relative LLE: LLE in years referred to 1 year under the risk. The dimension of this value is [year/year]. In the statistical sense R is conditionally the share of the year, which is lost due to exposure to a risk source during this year. In this sense R can be called as the relative damage. Really lifetime years are lost after the exposure. R can be in some conditional sense considered as a dimensionless quantity. General safety standards R n for the public and occupational workers have been suggested in terms of this index: R n = 0.0007 and 0.01 accordingly. Secondary safety standards are derived for a number of risk sources (ionising radiation, environmental chemical pollutants, etc). Values of R n are chosen in such a way that to have the secondary radiation BSS being equivalent to the current one's. Other general and derived levels for safety decision-making are also proposed including the de-minimus levels. Their possible dependence on the national or regional health-demographic data (HDD) is considered. Such issues as the ways of the integration and averaging of risk indices considered through the national or regional HDD for different risk sources and the use of non-threshold linear exposure - response relationships for ionising radiation and chemical pollutants are analysed
76 FR 28036 - Request for Comments and Announcement of Workshop on Standard-Setting Issues

Science.gov (United States)

2011-05-13

... costs resulting from hold-up. Collaborative standard setting plays an important role in the modern... process, and does not require a full search of the firm's patent portfolio. Many rules encourage... excluding patent applications from disclosure or by not requiring members to search their patent portfolios...
Effects of setting new source performance standards for fluidized-bed combustion systems

Energy Technology Data Exchange (ETDEWEB)

1978-02-01

This study was undertaken for the US Environmental Protection Agency to examine the potential consequences of revisions in New Source Performance Standards (NSPS) on fluidized-bed combustor-based steam electric generators of greater than 250,000,000 Btu. A study of the appropriateness and differential effects of alternate regulatory approaches to the standards-setting process was made. Problems dealing with an emerging technology such as fluidized-bed combustion were emphasized. Finally, an examination was made of the potential benefits of fluidized-bed combustion (FBC) systems relative to conventional coal-fired systems equipped with scrubbers. Information is included on the relative advantages and disadvantages of utility-sized fluidized-bed combustors, the technical consequences of NSPS alternatives, policy implications concerning NSPS for steam-electric generators, and cost models for atmospheric and pressurized FBC systems. (LCL)
Eulerian Circles (Venn Diagrams) as model for modern economy education on the basis of Russian professional standards

Science.gov (United States)

Sharonov, M. A.; Sharonova, O. V.; Sharonova, V. P.

2018-03-01

The article is an attempt to create a model built using Eulerian circles (Venn diagrams) to illustrate the methodological impact of recent Federal Law 283-FZ “On the independent evaluation of qualifications” and new Federal State Educational Standards of higher education of generation 3++ on educational process in Russia. In modern economic conditions, the ability to correctly assess the role of professional standards, as a matter of fact, some set, the degree of intersection with the approximate basic educational program and the Federal State Educational Standards becomes an important factor on which in the future will depend not only the demand of graduates in the labor market, but also the possibility of passing the professional and public accreditation of the proposed program.
Results from a Community-Wide Pilot Program to Standardize COPD Education for Patients Across Healthcare Settings in Rhode Island.

Science.gov (United States)

Pelland, Kimberly; Youssef, Rouba; Calandra, Kathleen; Cellar, Jennifer; Thiesen, Jennifer; Gardner, Rebekah

2017-07-05

Chronic obstructive pulmonary disease (COPD) is associated with significant morbidity, decreased quality of life, and burdensome hospital admissions. Therefore, patients with COPD interact with clinicians in a number of healthcare settings. A coalition of healthcare practitioners in Rhode Island, in partnership with the local Quality Improvement Organization, designed and implemented a standardized, COPD education program for use across multiple healthcare settings. More than 60 organizations participated, producing 140 Master Trainers, who trained 634 staff members at their facilities from October 2015 through June 2016. Master Trainers were satisfied with the training, and we observed significant increases in knowledge scores post-training among all participants, which remained significant when stratified by setting. These results demonstrate that implementation of a community-based program to disseminate patient-centered, standardized COPD education in multiple healthcare settings is feasible. We hope this program will ultimately improve patient outcomes and serve as the foundation for expanding standardized education for other chronic conditions. [Full article available at http://rimed.org/rimedicaljournal-2017-07.asp].

[Development of a software standardizing optical density with operation settings related to several limitations].

Science.gov (United States)

Tu, Xiao-Ming; Zhang, Zuo-Heng; Wan, Cheng; Zheng, Yu; Xu, Jin-Mei; Zhang, Yuan-Yuan; Luo, Jian-Ping; Wu, Hai-Wei

2012-12-01

To develop a software that can be used to standardize optical density to normalize the procedures and results of standardization in order to effectively solve several problems generated during standardization of in-direct ELISA results. The software was designed based on the I-STOD method with operation settings to solve the problems that one might encounter during the standardization. Matlab GUI was used as a tool for the development. The software was tested with the results of the detection of sera of persons from schistosomiasis japonica endemic areas. I-STOD V1.0 (WINDOWS XP/WIN 7, 0.5 GB) was successfully developed to standardize optical density. A serial of serum samples from schistosomiasis japonica endemic areas were used to examine the operational effects of I-STOD V1.0 software. The results indicated that the software successfully overcame several problems including reliability of standard curve, applicable scope of samples and determination of dilution for samples outside the scope, so that I-STOD was performed more conveniently and the results of standardization were more consistent. I-STOD V1.0 is a professional software based on I-STOD. It can be easily operated and can effectively standardize the testing results of in-direct ELISA.
Implementation of multimode release criteria and dose standard alternatives

International Nuclear Information System (INIS)

Klett, R.

1993-01-01

The current standard that regulates the disposal of high-level radioactive wastes (HLW) and transuranic (TRU) wastes evaluates the cumulative risk of all repositories with a single derived set of generic release limits. This paper reviews the technical basis, attributes, and deficiencies of the present approach and two alternative modifications and extensions. The alternatives are the multimode release limits applied at the point of release and a dose standard alternative suggested at the first Electric Power Research Institute (EPRI) waste disposal workshop. Methods of developing and applying the alternatives are presented and some suggestions are given for incorporating them in the standards
Standardized network order sets in rural Ontario: a follow-up report on successes and sustainability.

Science.gov (United States)

Rawn, Andrea; Wilson, Katrina

2011-01-01

Unifying, implementing and sustaining a large order set project requires strategic placement of key organizational professionals to provide ongoing user education, communication and support. This article will outline the successful strategies implemented by the Grey Bruce Health Network, Evidence-Based Care Program to reduce length of stay, increase patient satisfaction and increase the use of best practices resulting in quality outcomes, safer practice and better allocation of resources by using standardized Order Sets within a network of 11 hospital sites. Audits conducted in 2007 and again in 2008 revealed a reduced length of stay of 0.96 in-patient days when order sets were used on admission and readmission for the same or a related diagnosis within one month decreased from 5.5% without order sets to 3.5% with order sets.
Detecting intrajudge inconsistency in standard setting using test items with a selected-response format

NARCIS (Netherlands)

van der Linden, Willem J.; Vos, Hendrik J.; Chang, Lei

2002-01-01

In judgmental standard setting experiments, it may be difficult to specify subjective probabilities that adequately take the properties of the items into account. As a result, these probabilities are not consistent with each other in the sense that they do not refer to the same borderline level of
The regulatory framework of accounting and accounting standard-setting bodies in the European Union member states

Directory of Open Access Journals (Sweden)

Ivana Mamić-Sačer

2015-12-01

Full Text Available One of the principal features of accounting in the 21st century is harmonisation and stanardisation. Regulation of the European Parliament and European Council No. 1606/2002 harmonizes financial reporting for certain companies in the EU. However, national accounting principles are of great importance for financial reporting. The main purpose of this research was to investigate the application of generally accepted accounting principles, the regulatory accounting framework and the standard-setting bodies of EU member states. The analysis of these accounting issues was conducted with respect to all 28 EU member states. The results indicate that EU member states regulate their principal accounting issues through separate accounting acts or implement those issues in companies acts. Some EU member states do not have national accounting standards, the national accounting principles being incorporated in companies acts and accounting acts. Nevertheless, national accounting standard-setting bodies are governmental organisations in almost half the member states.
Setting Standards: Three Tales and a Proposition

DEFF Research Database (Denmark)

Knudsen, Mette Præst; Nielsen, Jørgen Ulff-Møller; Pedersen, Kurt

2001-01-01

Technological development has a tendency to be reflected in standards. In some cases, the market is the vehicle for defining standards that will be the outcome of a competitive battle between (groups of) firms. In other cases authorities will attempt to influence the technology process - and the ......Technological development has a tendency to be reflected in standards. In some cases, the market is the vehicle for defining standards that will be the outcome of a competitive battle between (groups of) firms. In other cases authorities will attempt to influence the technology process...... - and the standards. The background may be industry policy in combination with the nature of the technology and the products. The battle thus may turn into a battle between the market and the administrators. This paper presents three industry cases, one representing the pure market solution, and two presenting...... conflicts of interests; both leading to the final victory for the market driven solution....
Basis set effects on the energy and hardness profiles of the ...

Indian Academy of Sciences (India)

Unknown

maximum hardness principle (MHP); spurious stationary points; hydrogen fluoride dimer. 1. Introduction ... This error can be solved when accounting for the basis ..... DURSI for financial support through the Distinguished. University Research ...
Policy issues in setting de minimis standards for latent cancer risks of radiation and chemical carcinogens

International Nuclear Information System (INIS)

Spangler, M.

1984-01-01

In the fuel cycles for the development and utilization of alternative energy resources, the risk of latent cancer arises from a number of sources. Included are ionizing radiation and the carcinogenic potential of polluting chemicals present in certain fuels or in materials associated with the construction, operation, maintenance or waste treatment processes of nuclear power, fossil fuels, synfuels, biomass, and other sources of energy. One aspect of developing a carcinogen guideline policy for a consistent and effective regulatory regime to use in dealing with these assorted carcinogenic risks is the setting of de minimis quantitative standards. In this report, 11 policy issues related to the setting of such regulatory standards are identified and a brief commentary is provided. 15 references, 1 table
Standards and interdisciplinary treatment of boxing injuries of the head in professional boxing on the basis of an IBF World Championship Fight.

Science.gov (United States)

Dragu, Adrian; Unglaub, Frank; Radomirovic, Sinisa; Schnürer, Stefan; Wagner, Walter; Horch, Raymund E; Hell, Berthold

2010-12-01

Boxing injuries are well known in hobby boxing as well as in professional boxing. Especially in professional boxing it is of great importance to implement and follow prevention-, diagnosis- and therapy-standards in order to prevent or at least to minimize injuries of the athlete. The utmost aim would be to establish international prevention-, diagnosis- and therapy-standards for boxing injuries in professional boxing. However, this aim is on a short run unrealistic, as there are too many different professional boxing organisations with different regulations. A realistic short term aim would be to develop a national standard in order to unify the management and medical treatment of boxing injuries in professional boxing. We present the management and interdisciplinary treatment of a professional boxer with a bilateral open fracture of the mandible during a middle weight IBF World Championship Fight. On the basis of this case we want to present and discuss the possibilities of an interdisciplinary and successful medical treatment. In order to prevent or minimize boxing injuries of professional boxers, annual MRI-Scans of the head and neck have to be performed as prevention standard. Furthermore, neurocognitive tests must be performed on a regular basis. Boxing injuries in professional boxing need an interdisciplinary, unbiased and complex analysis directly at the boxing ring. The treatment of the injuries should be only performed in medical centres and thus under constant parameters. The needed qualifications must be learned in mandatory national licence courses of boxing physicians, referees and promoters.
Hot laboratory design on the basis of standardized components

International Nuclear Information System (INIS)

Cadrot, J.

1976-01-01

The paper describes the principal effects on hot laboratory design brought about over the last 15 years by the use of standardized components developed jointly with the CEA and the industrial associates of AFINE. After a rapid survey of the various advantages of standardization, the author turns to the specific case of a laboratory producing mixed plutonium and uranium oxide fuels, giving a brief description of the glove-boxes and ancillary equipment. He then deals with the design of an isotope production laboratory. The basic component is the DR 200 standard cell, which permits the civil engineering work to be effected on modular principles. Use of a safety-flow pressure regulating valve makes possible pneumatic automation of the production-cell internals. A substantial gain in output is the result. In the next section the paper refers to a pilot facility for irradiated fuel studies, and describes the components used, which require taking into account the high activities and intense radiations encountered in studies of this type. The author then demonstrates the flexibility with which standardized components can be adapted to different uses, thus solving many distinct problems, an example of which is represented by a semi-hot box for handling up to 100g of americium-241. Finally, the paper offers a rapid summary of the effects of standardization at the various stages concerned, from initial design to the commissioning of a hot laboratory. (author)
New STO(II-3Gmag family basis sets for the calculations of the molecules magnetic properties

Directory of Open Access Journals (Sweden)

Karina Kapusta

2015-10-01

Full Text Available An efficient approach for construction of physically justified STO(II-3Gmag family basis sets for calculation of molecules magnetic properties has been proposed. The procedure of construction based upon the taken into account the second order of perturbation theory in the magnetic field case. Analytical form of correction functions has been obtained using the closed representation of the Green functions by the solution of nonhomogeneous Schrödinger equation for the model problem of "one-electron atom in the external uniform magnetic field". Their performance has been evaluated for the DFT level calculations carried out with a number of functionals. The test calculations of magnetic susceptibility and 1H nuclear magnetic shielding tensors demonstrated a good agreement of the calculated values with the experimental data.
7 CFR 58.132 - Basis for classification.

Science.gov (United States)

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Basis for classification. 58.132 Section 58.132 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Milk § 58.132 Basis for classification. The quality classification of raw milk for manufacturing...
Standardised assessment of functioning in ADHD: consensus on the ICF Core Sets for ADHD.

Science.gov (United States)

Bölte, Sven; Mahdi, Soheil; Coghill, David; Gau, Susan Shur-Fen; Granlund, Mats; Holtmann, Martin; Karande, Sunil; Levy, Florence; Rohde, Luis A; Segerer, Wolfgang; de Vries, Petrus J; Selb, Melissa

2018-02-12

Attention-deficit/hyperactivity disorder (ADHD) is associated with significant impairments in social, educational, and occupational functioning, as well as specific strengths. Currently, there is no internationally accepted standard to assess the functioning of individuals with ADHD. WHO's International Classification of Functioning, Disability and Health-child and youth version (ICF) can serve as a conceptual basis for such a standard. The objective of this study is to develop a comprehensive, a common brief, and three age-appropriate brief ICF Core Sets for ADHD. Using a standardised methodology, four international preparatory studies generated 132 second-level ICF candidate categories that served as the basis for developing ADHD Core Sets. Using these categories and following an iterative consensus process, 20 ADHD experts from nine professional disciplines and representing all six WHO regions selected the most relevant categories to constitute the ADHD Core Sets. The consensus process resulted in 72 second-level ICF categories forming the comprehensive ICF Core Set-these represented 8 body functions, 35 activities and participation, and 29 environmental categories. A Common Brief Core Set that included 38 categories was also defined. Age-specific brief Core Sets included a 47 category preschool version for 0-5 years old, a 55 category school-age version for 6-16 years old, and a 52 category version for older adolescents and adults 17 years old and above. The ICF Core Sets for ADHD mark a milestone toward an internationally standardised functional assessment of ADHD across the lifespan, and across educational, administrative, clinical, and research settings.
Simulating Metabolite Basis Sets for in vivo MRS Quantification; Incorporating details of the PRESS Pulse Sequence by means of the GAMMA C++ library

NARCIS (Netherlands)

Van der Veen, J.W.; Van Ormondt, D.; De Beer, R.

2012-01-01

In this work we report on generating/using simulated metabolite basis sets for the quantification of in vivo MRS signals, assuming that they have been acquired by using the PRESS pulse sequence. To that end we have employed the classes and functions of the GAMMA C++ library. By using several
Next Generation Space Interconnect Standard (NGSIS): a modular open standards approach for high performance interconnects for space

Science.gov (United States)

Collier, Charles Patrick

2017-04-01

The Next Generation Space Interconnect Standard (NGSIS) effort is a Government-Industry collaboration effort to define a set of standards for interconnects between space system components with the goal of cost effectively removing bandwidth as a constraint for future space systems. The NGSIS team has selected the ANSI/VITA 65 OpenVPXTM standard family for the physical baseline. The RapidIO protocol has been selected as the basis for the digital data transport. The NGSIS standards are developed to provide sufficient flexibility to enable users to implement a variety of system configurations, while meeting goals for interoperability and robustness for space. The NGSIS approach and effort represents a radical departure from past approaches to achieve a Modular Open System Architecture (MOSA) for space systems and serves as an exemplar for the civil, commercial, and military Space communities as well as a broader high reliability terrestrial market.
Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

Science.gov (United States)

Hutter, Jürg

2003-03-01

An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.
Status and trends in IAEA safety standards

International Nuclear Information System (INIS)

Lipar, M.

2004-01-01

While safety is a national responsibility, international standards and approaches to safety promote consistency and facilitate international technical co-operation and trade, and help to provide assurance that nuclear and radiation related technologies are used safely. The standards also provide support for States in meeting their international obligations. One general international obligation is that a State must not pursue activities that cause damage in another State. More specific obligations on Contracting States are set out in international safety related conventions. The internationally agreed IAEA safety standards provide the basis for States to demonstrate that they are meeting these obligations. These standards are founded in the IAEA's Statute, which authorizes the Agency to establish standards of safety for nuclear and radiation related facilities and activities and to provide for their application. The safety standards reflect an international consensus on what constitutes a high level of safety for protecting people and the environment. (orig.) [de
On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants

DEFF Research Database (Denmark)

Faber, Rasmus; Sauer, Stephan P. A.

2018-01-01

The basis set convergence of nuclear spin-spin coupling constants (SSCC) calculated at the coupled cluster singles and doubles (CCSD) level has been investigated for ten difficult molecules. Eight of the molecules contain fluorine atoms and nine contain double or triple bonds. Results obtained...
Search for the standard model Higgs Boson produced in association with top quarks using the full CDF data set.

Science.gov (United States)

Aaltonen, T; Álvarez González, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Bisello, D; Bizjak, I; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Calamba, A; Calancha, C; Camarda, S; Campanelli, M; Campbell, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, K; Chokheli, D; Chung, W H; Chung, Y S; Ciocci, M A; Clark, A; Clarke, C; Compostella, G; Connors, J; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Crescioli, F; Cuevas, J; Culbertson, R; Dagenhart, D; d'Ascenzo, N; Datta, M; de Barbaro, P; Dell'Orso, M; Demortier, L; Deninno, M; Devoto, F; d'Errico, M; Di Canto, A; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dong, P; Dorigo, M; Dorigo, T; Ebina, K; Elagin, A; Eppig, A; Erbacher, R; Errede, S; Ershaidat, N; Eusebi, R; Farrington, S; Feindt, M; Fernandez, J P; Field, R; Flanagan, G; Forrest, R; Frank, M J; Franklin, M; Freeman, J C; Funakoshi, Y; Furic, I; Gallinaro, M; Garcia, J E; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Giannetti, P; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Goldschmidt, N; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Grinstein, S; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Halkiadakis, E; Hamaguchi, A; Han, J Y; Happacher, F; Hara, K; Hare, D; Hare, M; Harr, R F; Hatakeyama, K; Hays, C; Heck, M; Heinrich, J; Herndon, M; Hewamanage, S; Hocker, A; Hopkins, W; Horn, D; Hou, S; Hughes, R E; Hurwitz, M; Husemann, U; Hussain, N; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kim, Y J; Kimura, N; Kirby, M; Klimenko, S; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Krop, D; Kruse, M; Krutelyov, V; Kuhr, T; Kurata, M; Kwang, S; Laasanen, A T; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lecompte, T; Lee, E; Lee, H S; Lee, J S; Lee, S W; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lin, C-J; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, C; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maeshima, K; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, C; Martínez, M; Mastrandrea, P; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Mondragon, M N; Moon, C S; Moore, R; Morello, M J; Morlock, J; Movilla Fernandez, P; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Neubauer, M S; Nielsen, J; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagan Griso, S; Pagliarone, C; Palencia, E; Papadimitriou, V; Paramonov, A A; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Prokoshin, F; Pranko, A; Ptohos, F; Punzi, G; Rahaman, A; Ramakrishnan, V; Ranjan, N; Redondo, I; Renton, P; Rescigno, M; Riddick, T; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rodriguez, T; Rogers, E; Rolli, S; Roser, R; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Safonov, A; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, A; Schmidt, E E; Schwarz, T; Scodellaro, L; Scribano, A; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sinervo, P; Sliwa, K; Smith, J R; Snider, F D; Soha, A; Sorin, V; Song, H; Squillacioti, P; Stancari, M; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Strycker, G L; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thome, J; Thompson, G A; Thomson, E; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Varganov, A; Vázquez, F; Velev, G; Vellidis, C; Vidal, M; Vila, I; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wagner, R L; Wakisaka, T; Wallny, R; Wang, S M; Warburton, A; Waters, D; Wester, W C; Whiteson, D; Wicklund, A B; Wicklund, E; Wilbur, S; Wick, F; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanetti, A; Zeng, Y; Zhou, C; Zucchelli, S

2012-11-02

A search is presented for the standard model Higgs boson produced in association with top quarks using the full Run II proton-antiproton collision data set, corresponding to 9.45 fb(-1), collected by the Collider Detector at Fermilab. No significant excess over the expected background is observed, and 95% credibility-level upper bounds are placed on the cross section σ(ttH → lepton + missing transverse energy+jets). For a Higgs boson mass of 125 GeV/c(2), we expect to set a limit of 12.6 and observe a limit of 20.5 times the standard model rate. This represents the most sensitive search for a standard model Higgs boson in this channel to date.
REFORMASI SISTEM AKUNTANSI CASH BASIS MENUJU SISTEM AKUNTANSI ACCRUAL BASIS

Directory of Open Access Journals (Sweden)

Yuri Rahayu

2016-03-01

Full Text Available Abstract – Accounting reform movement was born with the aim of structuring the direction of improvement . This movement is characterized by the enactment of the Act of 2003 and Act 1 of 2004, which became the basis of the birth of Government Regulation No.24 of 2005 on Government Accounting Standards ( SAP . The general, accounting is based on two systems, the cash basis and the accrual basis. The facts speak far students still at problem with differences to the two methods that result in a lack of understanding on the treatment system for recording. The purpose method of research is particularly relevant to student references who are learning basic accounting so that it can provide information and more meaningful understanding of the accounting method cash basis and Accrual basis. This research was conducted through a normative approach, by tracing the document that references a study/library that combines source of reference that can be believed either from books and the internet are processed with a foundation of knowledge and experience of the author. The conclusion can be drawn that basically to be able to understand the difference of the system and the Cash Basis accrual student base treatment requires an understanding of both methods. To be able to have the ability and understanding of both systems required reading exercises and reference sources. Keywords : Reform, cash basis, accrual basis Abstrak - Gerakan reformasi akuntansi dilahirkan dengan tujuan penataan ke arah perbaikan. Gerakan ini ditandai dengan dikeluarkannya Undang-Undang tahun 2003 dan Undang-Undang No.1 Tahun 2004 yang menjadi dasar lahirnya Peraturan Pemerintah No.24 Tahun 2005 tentang Standar Akuntansi Pemerintah (SAP . Pada umumnya pencatatan akuntansi di dasarkan pada dua sistem yaitu basis kas (Cash Basis dan basis akrual (Accrual Basis. Fakta berbicara Selama ini mahasiswa masih dibinggungkan dengan perbedaan ke dua metode itu sehingga

Conduct of operations: establishing operational focus and setting operational standards

International Nuclear Information System (INIS)

Lane, L.; McGuigan, K.

1998-01-01

Due to the nature of our business, we have often tended to focus on the technological aspects of the nuclear industry. The focus of this paper is directed towards the importance of addressing the people skills, attitudes, and 'culture' within, and surrounding, our facilities as key areas of improvement. Within Ontario Hydro Nuclear (OLIN) we have developed the terminology 'event free' operation and 'event free' culture. 'Event Free' recognizes errors as a part of human performance. 'Event Free' takes into account human weaknesses, and provides tools (such as standards) to manage, control, and mitigate errors. In essence, 'Event Free' encompasses two concepts: 1. Prevent errors from occurring; 2. If an error is made, catch it before it can affect safe operation of the facility, learn from the error, and ensure that it does not happen again. In addressing these business realities, Ontario Hydro has identified a number of key support mechanisms and corresponding performance standards that are essential for achieving operating excellence and an 'event free' business culture. This paper will discuss two operational aspects of an 'event free' culture, the first being a set of expectations to enhance the culture, and the second an example of cultural change: 1. Operating Standards - establishing clear expectations for human performance in operating staff; 2. Operational Focus - the understanding that, as a nuclear worker, you should consider every task, activity, in fact everything you do in this business, for the potential to affect safe and reliable operation of a nuclear facility. Note that although the term 'Operational' appears in the title, this concept applies to every individual in the nuclear business, from the cleaner, to the Board of Directors, to the external supplier. (author)
PROCAL: A Set of 40 Peptide Standards for Retention Time Indexing, Column Performance Monitoring, and Collision Energy Calibration.

Science.gov (United States)

Zolg, Daniel Paul; Wilhelm, Mathias; Yu, Peng; Knaute, Tobias; Zerweck, Johannes; Wenschuh, Holger; Reimer, Ulf; Schnatbaum, Karsten; Kuster, Bernhard

2017-11-01

Beyond specific applications, such as the relative or absolute quantification of peptides in targeted proteomic experiments, synthetic spike-in peptides are not yet systematically used as internal standards in bottom-up proteomics. A number of retention time standards have been reported that enable chromatographic aligning of multiple LC-MS/MS experiments. However, only few peptides are typically included in such sets limiting the analytical parameters that can be monitored. Here, we describe PROCAL (ProteomeTools Calibration Standard), a set of 40 synthetic peptides that span the entire hydrophobicity range of tryptic digests, enabling not only accurate determination of retention time indices but also monitoring of chromatographic separation performance over time. The fragmentation characteristics of the peptides can also be used to calibrate and compare collision energies between mass spectrometers. The sequences of all selected peptides do not occur in any natural protein, thus eliminating the need for stable isotope labeling. We anticipate that this set of peptides will be useful for multiple purposes in individual laboratories but also aiding the transfer of data acquisition and analysis methods between laboratories, notably the use of spectral libraries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Comment on "Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set" [J. Chem. Phys. 139, 114104 (2013)

DEFF Research Database (Denmark)

Brandbyge, Mads

2014-01-01

, different from what would be obtained by using an orthogonal basis, and dividing surfaces defined in real-space. We argue that this assumption is not required to be fulfilled to get exact results. We show how the current/transmission calculated by the standard Greens function method is independent...
Evolution in time of an N-atom system. I. A physical basis set for the projection of the master equation

International Nuclear Information System (INIS)

Freedhoff, Helen

2004-01-01

We study an aggregate of N identical two-level atoms (TLA's) coupled by the retarded interatomic interaction, using the Lehmberg-Agarwal master equation. First, we calculate the entangled eigenstates of the system; then, we use these eigenstates as a basis set for the projection of the master equation. We demonstrate that in this basis the equations of motion for the level populations, as well as the expressions for the emission and absorption spectra, assume a simple mathematical structure and allow for a transparent physical interpretation. To illustrate the use of the general theory in emission processes, we study an isosceles triangle of atoms, and present in the long wavelength limit the (cascade) emission spectrum for a hexagon of atoms fully excited at t=0. To illustrate its use for absorption processes, we tabulate (in the same limit) the biexciton absorption frequencies, linewidths, and relative intensities for polygons consisting of N=2,...,9 TLA's
Laser-Doppler-Velocimetry on the basis of frequency selective absorption: set-up and test of a Doppler Gloval Velocimeter; Laser-Doppler-Velocimetry auf der Basis frequenzselektiver Absorption: Aufbau und Einsatz eines Doppler Global Velocimeters

Energy Technology Data Exchange (ETDEWEB)

Roehle, I.

1999-11-01

A Doppler Global Velocimeter was set up in the frame of a PhD thesis. This velocimeter is optimized to carry out high accuracy, three component, time averaged planar velocity measurements. The anemometer was successfully applied to wind tunnel and test rig flows, and the measurement accuracy was investigated. A volumetric data-set of the flow field inside an industrial combustion chamber was measured. This data field contained about 400.000 vectors. DGV measurements in the intake of a jet engine model were carried out applying a fibre bundle boroskope. The flow structure of the wake of a car model in a wind tunnel was investigated. The measurement accuracy of the DGV-System is {+-}0.5 m/s when operated under ideal conditions. This study can serve as a basis to evaluate the use of DGV for aerodynamic development experiments. (orig.) [German] Im Rahmen der Dissertation wurde ein auf hohe Messgenauigkeit optimiertes DGV-Geraet fuer zeitlich gemittelte Drei-Komponenten-Geschwindigkeitsmessungen entwickelt und gebaut, an Laborstroemungen, an Teststaenden und an Windkanaelen erfolgreich eingesetzt und das Potential der Messtechnik, insbesondere im Hinblick auf Messgenauigkeit, untersucht. Im Fall einer industriellen Brennkammer konnte ein Volumen-Datensatz des Stroemungsfeldes erstellt werden, dessen Umfang bei ca. 400.000 Vektoren lag. Es wurden DGV-Messungen mittels eines flexiblen Endoskops auf Basis eines Faserbuendels durchgefuehrt und damit die Stroemung in einem Flugzeugeinlauf vermessen. Es wurden DGV-Messungen im Nachlauf eines PKW-Modells in einem Windkanal durchgefuehrt. Die Messgenauigkeit des erstellten DGV-Systems betraegt unter Idealbedingungen {+-}0,5 m/s. Durch die Arbeit wurde eine Basis zur Beurteilung des Nutzens der DGV-Technik fuer aerodynamische Entwicklungsarbeiten geschaffen. (orig.)
Measurement of basis weight by radiation gauge

International Nuclear Information System (INIS)

Buchnea, A.

1981-01-01

For accurate measurement of the basis weight (mass per unit area) of a material such as paper between a radioactive source and an ionization chamber the apparatus is calibrated by using a plurality of standards of known basis weight to provide a relationship between basis weight and the output current of the chamber which includes at least terms of the second order and preferably terms of higher orders. The major portion of the radiation path is enclosed in airtight chambers which are sufficiently rigid that the density therein is independent of ambient temperature and pressure variations. The accuracy is increased by measuring ambient temperature and pressure fluctuations, and linearly compensating for resultant density variations in the air gap through which the paper web passes. A wheel holding the standards is induced by a motor and a perforated encoding disc. (author)
Comparison study of judged clinical skills competence from standard setting ratings generated under different administration conditions.

Science.gov (United States)

Roberts, William L; Boulet, John; Sandella, Jeanne

2017-12-01

When the safety of the public is at stake, it is particularly relevant for licensing and credentialing exam agencies to use defensible standard setting methods to categorize candidates into competence categories (e.g., pass/fail). The aim of this study was to gather evidence to support change to the Comprehensive Osteopathic Medical Licensing-USA Level 2-Performance Evaluation standard setting design and administrative process. Twenty-two video recordings of candidates assessed for clinical competence were randomly selected from the 2014-2015 Humanistic domain test score distribution ranging from the highest to lowest quintile of performance. Nineteen panelists convened at the same site to receive training and practice prior to generating judgments of qualified or not qualified performance to each of the twenty videos. At the end of training, one panel remained onsite to complete their judgments and the second panel was released and given 1 week to observe the same twenty videos and complete their judgments offsite. The two one-sided test procedure established equivalence between panel group means at the 0.05 confidence level, controlling for rater errors within each panel group. From a practical cost-effective and administrative resource perspective, results from this study suggest it is possible to diverge from typical panel groups, who are sequestered the entire time onsite, to larger numbers of panelists who can make their judgments offsite with little impact on judged samples of qualified performance. Standard setting designs having panelists train together and then allowing those to provide judgments yields equivalent ratings and, ultimately, similar cut scores.
A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application

Science.gov (United States)

Simon, Sílvia; Duran, Miquel

1997-08-01

Quantum molecular similarity (QMS) techniques are used to assess the response of the electron density of various small molecules to application of a static, uniform electric field. Likewise, QMS is used to analyze the changes in electron density generated by the process of floating a basis set. The results obtained show an interrelation between the floating process, the optimum geometry, and the presence of an external field. Cases involving the Le Chatelier principle are discussed, and an insight on the changes of bond critical point properties, self-similarity values and density differences is performed.
[Development of a computerized system using standard nursing language for creation of a nursing minimum data set].

Science.gov (United States)

D'Agostino, Fabio; Vellone, Ercole; Tontini, Francesco; Zega, Maurizio; Alvaro, Rosaria

2012-01-01

The aim of a nursing data set is to provide useful information for assessing the level of care and the state of health of the population. Currently, both in Italy and in other countries, this data is incomplete due to the lack of a structured nursing documentation , making it indispensible to develop a Nursing Minimum Data Set (NMDS) using standard nursing language to evaluate care, costs and health requirements. The aim of the project described , is to create a computer system using standard nursing terms with a dedicated software which will aid the decision-making process and provide the relative documentation. This will make it possible to monitor nursing activity and costs and their impact on patients' health : adequate training and involvement of nursing staff will play a fundamental role.
42 CFR 494.1 - Basis and scope.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Basis and scope. 494.1 Section 494.1 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) STANDARDS... or adopted by voluntary consensus standards bodies, unless their use would be inconsistent with...
GRACE L1b inversion through a self-consistent modified radial basis function approach

Science.gov (United States)

Yang, Fan; Kusche, Juergen; Rietbroek, Roelof; Eicker, Annette

2016-04-01

Implementing a regional geopotential representation such as mascons or, more general, RBFs (radial basis functions) has been widely accepted as an efficient and flexible approach to recover the gravity field from GRACE (Gravity Recovery and Climate Experiment), especially at higher latitude region like Greenland. This is since RBFs allow for regionally specific regularizations over areas which have sufficient and dense GRACE observations. Although existing RBF solutions show a better resolution than classical spherical harmonic solutions, the applied regularizations cause spatial leakage which should be carefully dealt with. It has been shown that leakage is a main error source which leads to an evident underestimation of yearly trend of ice-melting over Greenland. Unlike some popular post-processing techniques to mitigate leakage signals, this study, for the first time, attempts to reduce the leakage directly in the GRACE L1b inversion by constructing an innovative modified (MRBF) basis in place of the standard RBFs to retrieve a more realistic temporal gravity signal along the coastline. Our point of departure is that the surface mass loading associated with standard RBF is smooth but disregards physical consistency between continental mass and passive ocean response. In this contribution, based on earlier work by Clarke et al.(2007), a physically self-consistent MRBF representation is constructed from standard RBFs, with the help of the sea level equation: for a given standard RBF basis, the corresponding MRBF basis is first obtained by keeping the surface load over the continent unchanged, but imposing global mass conservation and equilibrium response of the oceans. Then, the updated set of MRBFs as well as standard RBFs are individually employed as the basis function to determine the temporal gravity field from GRACE L1b data. In this way, in the MRBF GRACE solution, the passive (e.g. ice melting and land hydrology response) sea level is automatically
Proprietary, standard, and government-supported nuclear data bases

International Nuclear Information System (INIS)

Poncelet, C.G.; Ozer, O.; Harris, D.R.

1975-07-01

This study presents an assessment of the complex situation surrounding nuclear data bases for nuclear power technology. Requirements for nuclear data bases are identified as regards engineering functions and system applications for the many and various user groups that rely on nuclear data bases. Current practices in the development and generation of nuclear data sets are described, and the competitive aspect of design nuclear data set development is noted. The past and current role of the federal government in nuclear data base development is reviewed, and the relative merits of continued government involvement are explored. National policies of the United States and other industrial countries regarding the availability of nationally supported nuclear data information are reviewed. Current proprietary policies of reactor vendors regarding design library data sets are discussed along with the basis for such proprietary policies. The legal aspects of protective policies are explored as are their impacts on the nuclear power industry as a whole. The effect of the regulatory process on the availability and documentation of nuclear data bases is examined. Current nuclear data standard developments are reviewed, including a discussion of the standard preparation process. Standards currently proposed or in preparation that directly relate to nuclear data bases are discussed in some detail. (auth)
Electronic structure of crystalline uranium nitrides UN, U{sub 2}N{sub 3} and UN{sub 2}: LCAO calculations with the basis set optimization

Energy Technology Data Exchange (ETDEWEB)

Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V [Department of Quantum Chemistry, St. Petersburg State University, University Prospect 26, Stary Peterghof, St. Petersburg, 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu

2008-06-01

The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U{sub 2}N{sub 3} and UN{sub 2} are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U{sub 2}N{sub 3} crystals; UN{sub 2} crystal has the semiconducting nature.
A MEPS is a MEPS is a MEPS. Comparing Ecodesign and Top Runner schemes for setting product efficiency standards

Energy Technology Data Exchange (ETDEWEB)

Siderius, P.J.S. [NL Agency, Croeselaan 15, P.O. Box 8242, 3503 RE Utrecht (Netherlands); Nakagami, H. [Jyukankyo Research Institute, 3-29, Kioi-cho, Chiyoda-ku Tokyo, 102-0094 (Japan)

2013-02-15

Both Top Runner in Japan and Ecodesign in the European Union are schemes to set requirements on the energy efficiency (minimum efficiency performance standards, MEPS) of a variety of products. This article provides an overview of the main characteristics and results of both schemes and gives recommendations for improving them. Both schemes contribute significantly to the energy efficiency targets set by the European Commission and the Japanese government. Although it is difficult to compare the absolute levels of the requirements, comparison of the relative improvements and of the savings on household electricity consumption (11 % in Japan, 16 % in the EU) suggest they are in the same range. Furthermore, the time needed to set or review requirements is in both schemes considerable (between 5 and 6 years on average) and the manageability increasingly will become a challenge. The appeal of the Top Runner approach is that the most efficient product (Top Runner) sets the standard for all products at the next target year. Although the Ecodesign scheme includes the elements for a Top Runner approach, it could exploit this principle more explicitly. On the other hand, the Top Runner scheme could benefit by using a real minimum efficiency performance standard instead of a fleet average. This would make the monitoring and enforcement more simple and transparent, and would open the scheme for products where the market situation is less clear.
Conceptual framework and technical basis for clearance of materials with residual radioactivity

International Nuclear Information System (INIS)

Chen, S.Y.

1997-01-01

The primary impediment to the release of materials containing residual radioactivity from a controlled environment is the lack of a suitable framework within which release standards can be developed. Recently, the 'risk-based' approach has been proposed as an appropriate means of setting standards. The term 'clearance' has been introduced by the International Atomic Energy Commission as a regulatory process for releasing radioactive materials posing trivial risks. A 'trivial' risk level has been determined to be on the order of 10[sup -6] to 10[sup -7] annual risk to an exposed individual, and a population risk of no more than 0.1 annually. Under these strict constraints, exposure scenarios may account for processing, disposal, and product end-use of materials. This paper discusses these scenarios and also describes the technical basis for deriving release levels under the suggested risk (or dose) constraints
Economic communication model set

Science.gov (United States)

Zvereva, Olga M.; Berg, Dmitry B.

2017-06-01

This paper details findings from the research work targeted at economic communications investigation with agent-based models usage. The agent-based model set was engineered to simulate economic communications. Money in the form of internal and external currencies was introduced into the models to support exchanges in communications. Every model, being based on the general concept, has its own peculiarities in algorithm and input data set since it was engineered to solve the specific problem. Several and different origin data sets were used in experiments: theoretic sets were estimated on the basis of static Leontief's equilibrium equation and the real set was constructed on the basis of statistical data. While simulation experiments, communication process was observed in dynamics, and system macroparameters were estimated. This research approved that combination of an agent-based and mathematical model can cause a synergetic effect.
Probabilistic Open Set Recognition

Science.gov (United States)

Jain, Lalit Prithviraj

support vector machines. Building from the success of statistical EVT based recognition methods such as PI-SVM and W-SVM on the open set problem, we present a new general supervised learning algorithm for multi-class classification and multi-class open set recognition called the Extreme Value Local Basis (EVLB). The design of this algorithm is motivated by the observation that extrema from known negative class distributions are the closest negative points to any positive sample during training, and thus should be used to define the parameters of a probabilistic decision model. In the EVLB, the kernel distribution for each positive training sample is estimated via an EVT distribution fit over the distances to the separating hyperplane between positive training sample and closest negative samples, with a subset of the overall positive training data retained to form a probabilistic decision boundary. Using this subset as a frame of reference, the probability of a sample at test time decreases as it moves away from the positive class. Possessing this property, the EVLB is well-suited to open set recognition problems where samples from unknown or novel classes are encountered at test. Our experimental evaluation shows that the EVLB provides a substantial improvement in scalability compared to standard radial basis function kernel machines, as well as P I-SVM and W-SVM, with improved accuracy in many cases. We evaluate our algorithm on open set variations of the standard visual learning benchmarks, as well as with an open subset of classes from Caltech 256 and ImageNet. Our experiments show that PI-SVM, WSVM and EVLB provide significant advances over the previous state-of-the-art solutions for the same tasks.
Implementing standardized, inter-unit communication in an international setting: handoff of patients from emergency medicine to internal medicine.

Science.gov (United States)

Balhara, Kamna S; Peterson, Susan M; Elabd, Mohamed Moheb; Regan, Linda; Anton, Xavier; Al-Natour, Basil Ali; Hsieh, Yu-Hsiang; Scheulen, James; Stewart de Ramirez, Sarah A

2018-04-01

Standardized handoffs may reduce communication errors, but research on handoff in community and international settings is lacking. Our study at a community hospital in the United Arab Emirates characterizes existing handoff practices for admitted patients from emergency medicine (EM) to internal medicine (IM), develops a standardized handoff tool, and assesses its impact on communication and physician perceptions. EM physicians completed a survey regarding handoff practices and expectations. Trained observers utilized a checklist based on the Systems Engineering Initiative for Patient Safety model to observe 40 handoffs. EM and IM physicians collaboratively developed a written tool encouraging bedside handoff of admitted patients. After the intervention, surveys of EM physicians and 40 observations were subsequently repeated. 77.5% of initial observed handoffs occurred face-to-face, with 42.5% at bedside, and in four different languages. Most survey respondents considered face-to-face handoff ideal. Respondents noted 9-13 patients suffering harm due to handoff in the prior month. After handoff tool implementation, 97.5% of observed handoffs occurred face-to-face (versus 77.5%, p = 0.014), with 82.5% at bedside (versus 42.5%, p face-to-face and bedside handoff, positively impacted workflow, and increased perceptions of safety by EM physicians in an international, non-academic setting. Our three-step approach can be applied towards developing standardized, context-specific inter-specialty handoff in a variety of settings.
Setting the standard, implementation and auditing within haemodialysis.

Science.gov (United States)

Jones, J

1997-01-01

With an ever increasing awareness of the need to deliver a quality of care that is measurable in Nursing, the concept of Standards provides an ideal tool (1). Standards operate outside the boundaries of policies and procedures to provide an audit tool of authenticity and flexibility. Within our five Renal Units, while we felt confident that we were delivering an excellent standard of care to our patients and continually trying to improve upon it, what we really needed was a method of measuring this current level of care and highlighting key areas where we could offer improvement.
Health value as a common criterion of ionizing radiation and other injurious factors in rate setting system

International Nuclear Information System (INIS)

Ramzaev, P.V.; Tarasov, S.I.; Mashneva, N.I.; Rodionova, L.F.; Sukal'skaya, S.Ya.

1978-01-01

A concept of ''health'' value'' is formulated as a single integral indicator of benefits and hazards to be used in setting standards for ionizing radiations and other deleterious factors. This concept incorporates socially meaningful indices such as life span, mental and physical work capacity, reproduction of healthy offspring, and state of well-being throughout lifetime. The ''health value'' should be considered primarily as a methodologic basis for hygienic evaluation of various situations and also in substantiating various standards

Setting and Reviewing Standards to Control Lead (Pb) Pollution

Science.gov (United States)

Lead (Pb) standards are part of the National Ambient Air Quality Standards (NAAQS), which limit air pollution to protect health and the environment. Standards are periodically reviewed and updated, and air quality across the U.S. is measured against them.
Comparison of NDE standards in the frame of fracture mechanics approach

International Nuclear Information System (INIS)

Reale, S.; Capurro, E.; Corvi, A.

1991-01-01

The Design and Construction Codes are a set of rules which were set together because they were the best ones when the Codes were issued. A permanent objective must be to complete and improve these rules. This objective can be attained as the result of industrial experiences and by means of research and development activities. Until recently, high risk plants like nuclear plants were designed and built on the basis of the codes and standards of the country where the plant was to be built and operated, and this caused many disadvantages. On the contrary, the use of common codes and standards offers many advantages. A general objective is to compare codes in order to identify the differences in national rules and standards. The acceptance criteria based on nondestructive testing to reject dangerous defects are discussed. In this paper, the standards adopted in France, Germany, Italy and the United Kingdom are taken in consideration, and ultrasonic and radiographic inspections are selected. The methodology of this activity and the results of comparison are reported. (K.I.)
Evaluation of one-dimensional and two-dimensional volatility basis sets in simulating the aging of secondary organic aerosol with smog-chamber experiments.

Science.gov (United States)

Zhao, Bin; Wang, Shuxiao; Donahue, Neil M; Chuang, Wayne; Hildebrandt Ruiz, Lea; Ng, Nga L; Wang, Yangjun; Hao, Jiming

2015-02-17

We evaluate the one-dimensional volatility basis set (1D-VBS) and two-dimensional volatility basis set (2D-VBS) in simulating the aging of SOA derived from toluene and α-pinene against smog-chamber experiments. If we simulate the first-generation products with empirical chamber fits and the subsequent aging chemistry with a 1D-VBS or a 2D-VBS, the models mostly overestimate the SOA concentrations in the toluene oxidation experiments. This is because the empirical chamber fits include both first-generation oxidation and aging; simulating aging in addition to this results in double counting of the initial aging effects. If the first-generation oxidation is treated explicitly, the base-case 2D-VBS underestimates the SOA concentrations and O:C increase of the toluene oxidation experiments; it generally underestimates the SOA concentrations and overestimates the O:C increase of the α-pinene experiments. With the first-generation oxidation treated explicitly, we could modify the 2D-VBS configuration individually for toluene and α-pinene to achieve good model-measurement agreement. However, we are unable to simulate the oxidation of both toluene and α-pinene with the same 2D-VBS configuration. We suggest that future models should implement parallel layers for anthropogenic (aromatic) and biogenic precursors, and that more modeling studies and laboratory research be done to optimize the "best-guess" parameters for each layer.
Setting ambient air quality standards for particulate matter

International Nuclear Information System (INIS)

McClellan, Roger O.

2002-01-01

Ambient air particulate matter (PM), unspecified as to chemical composition, is of concern because of its health effects. Air quality standards for PM have been established in many countries. The earliest standards were based on threshold models and use of a margin of safety. Initially, standards were based on the mass of total suspended material. In the 1980s a shift to a size-specific standard, PM 10 , began. PM 10 is the fraction of PM captured with 50% efficiency at 10 μm and greater efficiency at smaller sizes. In the late 1990s, standards were proposed for PM 2.5 , which is captured with 50% efficiency at 2.5 μm. The standards for PM are based almost exclusively on human epidemiological data, with laboratory animal and in vitro data used in a supporting role. During the 1990s, new statistical tools began to be used and demonstrated an association between increased PM and an increase in cardiorespiratory morbidity and mortality. The analyses are complicated by the effects of other pollutants such as ozone. Effects have been observed down to 10-20 μg of PM 10 per cubic meter, levels equal to or below background in many parts of the world. In many studies there has been no evidence of a threshold. In the absence of a threshold, a critical issue becomes how to determine how low is low enough? This paper reviews the current literature on PM health effects and suggests research avenues that may yield data which, combined with public policy considerations, may be able to address the issue of 'how low is low enough?'
The development of national competency standards for the midwife in Australia.

Science.gov (United States)

Homer, Caroline S E; Passant, Lyn; Kildea, Sue; Pincombe, Jan; Thorogood, Carol; Leap, Nicky; Brodie, Pat M

2007-12-01

to develop and validate national competency standards for midwives in Australia. This study was part of a commissioned national research project to articulate the scope of practice of Australian midwives and to develop national competency standards to assist midwives to deliver safe and competent midwifery care. a multi-method, staged approach was used to collect data through a literature review, workshop consultations, interviews, surveys and written submissions in order to develop national competency standards for Australian midwives. Subsequently, direct observation of practice in a range of settings ensured validation of the competencies. maternity-care settings in each state and territory in Australia. midwives, other health professionals and consumers of midwifery care. The national competency standards for the midwife were developed through research and consultation before being validated in practice. the national competency standards are currently being implemented into education, regulation and practice in Australia. These will be minimum competency standards required of all midwives who seek authority to practise as a midwife in Australia. It is expected that all midwives will demonstrate that they are able to meet the competency standards relevant to the position they hold. the competency standards establish a national standard for midwives and reinforce responsibility and accountability in the provision of quality midwifery care through safe and effective practice. In addition, individual midwives may use the competency standards as the basis of their ongoing professional development plans.
The Cultural Influence in Accounting Standard Setting: A Comparative Analysis of the United States, Canada, and England.

Science.gov (United States)

Bloom, Robert; And Others

A study of the processes for establishing the principles and policies of measurement and disclosure in preparing financial reports examines differences in these processes in the United States, Canada, and England. Information was drawn from international accounting literature on standard setting. The differences and similarities in the…
Six Dimension Strategy As A Basis Of Banking Standard Contract

Directory of Open Access Journals (Sweden)

Wulanmas Frederik

2012-01-01

Full Text Available Indonesia banking based on Article 4 of Act No.10, 1998, aims at supporting the implementation of national development in order to improve equity, economic growth and national stability in the direction of improving people’s welfare. Therefore, to show how important is banking role in supporting the implementation of development, the 6 (six Strategic Dimensions as the foundation of Banking Standards Contract are: (1. Prudent Banking Supervision and Good Corporate Governance (GCG in banking activities, (2. Refunctionalization the principle of Contract Law in Banking Standards Contract, (3. Ethics Value in Business, (4. The Act No. 8, 1999 on Consumer Protection, (5. Enforcement of Human Rights Principles in banking activities, (6. Abuse of Circumstances implementations (Misbruik van Omstandigheden in banking Contract. Based on the 6 (six Strategic Dimension as the foundation of Banking Standard Contract, it will undoubtedly create justice, equity and assurance of the rights and obligations of the parties framed in the contractual and law bonds.
Many-Body Energy Decomposition with Basis Set Superposition Error Corrections.

Science.gov (United States)

Mayer, István; Bakó, Imre

2017-05-09

The problem of performing many-body decompositions of energy is considered in the case when BSSE corrections are also performed. It is discussed that the two different schemes that have been proposed go back to the two different interpretations of the original Boys-Bernardi counterpoise correction scheme. It is argued that from the physical point of view the "hierarchical" scheme of Valiron and Mayer should be preferred and not the scheme recently discussed by Ouyang and Bettens, because it permits the energy of the individual monomers and all the two-body, three-body, etc. energy components to be free of unphysical dependence on the arrangement (basis functions) of other subsystems in the cluster.
The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes.

Science.gov (United States)

Roper, Ian P E; Besley, Nicholas A

2016-03-21

The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.
ERS/ECDC Statement: European Union standards for tuberculosis care, 2017 update.

Science.gov (United States)

Migliori, Giovanni Battista; Sotgiu, Giovanni; Rosales-Klintz, Senia; Centis, Rosella; D'Ambrosio, Lia; Abubakar, Ibrahim; Bothamley, Graham; Caminero, Jose Antonio; Cirillo, Daniela Maria; Dara, Masoud; de Vries, Gerard; Aliberti, Stefano; Dinh-Xuan, Anh Tuan; Duarte, Raquel; Midulla, Fabio; Solovic, Ivan; Subotic, Dragan R; Amicosante, Massimo; Correia, Ana Maria; Cirule, Andra; Gualano, Gina; Kunst, Heinke; Palmieri, Fabrizio; Riekstina, Vija; Tiberi, Simon; Verduin, Remi; van der Werf, Marieke J

2018-05-01

The International Standards for Tuberculosis Care define the essential level of care for managing patients who have or are presumed to have tuberculosis, or are at increased risk of developing the disease. The resources and capacity in the European Union (EU) and the European Economic Area permit higher standards of care to secure quality and timely TB diagnosis, prevention and treatment. On this basis, the European Union Standards for Tuberculosis Care (ESTC) were published in 2012 as standards specifically tailored to the EU setting. Since the publication of the ESTC, new scientific evidence has become available and, therefore, the standards were reviewed and updated.A panel of international experts, led by a writing group from the European Respiratory Society (ERS) and the European Centre for Disease Prevention and Control (ECDC), updated the ESTC on the basis of new published evidence. The underlying principles of these patient-centred standards remain unchanged. The second edition of the ESTC includes 21 standards in the areas of diagnosis, treatment, HIV and comorbidities, and public health and prevention.The ESTC target clinicians and public health workers, provide an easy-to-use resource and act as a guide through all the required activities to ensure optimal diagnosis, treatment and prevention of TB. The content of this work is copyright of the authors or their employers. Design and branding are copyright ©ERS 2018.
40 CFR 465.20 - Applicability; description of the galvanized basis material subcategory.

Science.gov (United States)

2010-07-01

... galvanized basis material subcategory. 465.20 Section 465.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS COIL COATING POINT SOURCE CATEGORY Galvanized Basis Material Subcategory § 465.20 Applicability; description of the galvanized basis material...
Study on a Threat-Countermeasure Model Based on International Standard Information

Directory of Open Access Journals (Sweden)

Guillermo Horacio Ramirez Caceres

2008-12-01

Full Text Available Many international standards exist in the field of IT security. This research is based on the ISO/IEC 15408, 15446, 19791, 13335 and 17799 standards. In this paper, we propose a knowledge base comprising a threat countermeasure model based on international standards for identifying and specifying threats which affect IT environments. In addition, the proposed knowledge base system aims at fusing similar security control policies and objectives in order to create effective security guidelines for specific IT environments. As a result, a knowledge base of security objectives was developed on the basis of the relationships inside the standards as well as the relationships between different standards. In addition, a web application was developed which displays details about the most common threats to information systems, and for each threat presents a set of related security control policies from different international standards, including ISO/IEC 27002.
Feynman rules for the Standard Model Effective Field Theory in R ξ -gauges

Science.gov (United States)

Dedes, A.; Materkowska, W.; Paraskevas, M.; Rosiek, J.; Suxho, K.

2017-06-01

We assume that New Physics effects are parametrized within the Standard Model Effective Field Theory (SMEFT) written in a complete basis of gauge invariant operators up to dimension 6, commonly referred to as "Warsaw basis". We discuss all steps necessary to obtain a consistent transition to the spontaneously broken theory and several other important aspects, including the BRST-invariance of the SMEFT action for linear R ξ -gauges. The final theory is expressed in a basis characterized by SM-like propagators for all physical and unphysical fields. The effect of the non-renormalizable operators appears explicitly in triple or higher multiplicity vertices. In this mass basis we derive the complete set of Feynman rules, without resorting to any simplifying assumptions such as baryon-, lepton-number or CP conservation. As it turns out, for most SMEFT vertices the expressions are reasonably short, with a noticeable exception of those involving 4, 5 and 6 gluons. We have also supplemented our set of Feynman rules, given in an appendix here, with a publicly available Mathematica code working with the FeynRules package and producing output which can be integrated with other symbolic algebra or numerical codes for automatic SMEFT amplitude calculations.
A comparison of two standard-setting approaches in high-stakes clinical performance assessment using generalizability theory.

Science.gov (United States)

Richter Lagha, Regina A; Boscardin, Christy K; May, Win; Fung, Cha-Chi

2012-08-01

Scoring clinical assessments in a reliable and valid manner using criterion-referenced standards remains an important issue and directly affects decisions made regarding examinee proficiency. This generalizability study of students' clinical performance examination (CPX) scores examines the reliability of those scores and of their interpretation, particularly according to a newly introduced, "critical actions" criterion-referenced standard and scoring approach. The authors applied a generalizability framework to the performance scores of 477 third-year students attending three different medical schools in 2008. The norm-referenced standard included all station checklist items. The criterion-referenced standard included only those items deemed critical to patient care by a faculty panel. The authors calculated and compared variance components and generalizability coefficients for each standard across six common stations. Norm-referenced scores had moderate generalizability (ρ = 0.51), whereas criterion-referenced scores showed low dependability (φ = 0.20). The estimated 63% of measurement error associated with the person-by-station interaction suggests case specificity. Increasing the number of stations on the CPX from 6 to 24, an impractical solution both for cost and time, would still yield only moderate dependability (φ = 0.50). Though the performance assessment of complex skills, like clinical competence, seems intrinsically valid, careful consideration of the scoring standard and approach is needed to avoid misinterpretation of proficiency. Further study is needed to determine how best to improve the reliability of criterion-referenced scores, by implementing changes to the examination structure, the process of standard-setting, or both.
Health and safety impacts of nuclear, geothermal, and fossil-fuel electric generation in California. Volume 2. Radiological health and related standards for nuclear power plants

International Nuclear Information System (INIS)

Nero, A.V.; Wong, Y.C.

1977-01-01

This report summarizes the status and basis of radiation protection standards, with a view to identifying how they particularly apply to nuclear power plants. The national and international organizations involved in the setting of standards are discussed, paying explicit attention to their jurisdictions and to the considerations they use in setting standards. The routine and accidental radioactive emissions from nuclear power plants are characterized, and the effect of these emissions on ambient radiation levels is discussed. The state of information on the relationship between radiation exposures and health effects is summarized
SAR matrices: automated extraction of information-rich SAR tables from large compound data sets.

Science.gov (United States)

Wassermann, Anne Mai; Haebel, Peter; Weskamp, Nils; Bajorath, Jürgen

2012-07-23

We introduce the SAR matrix data structure that is designed to elucidate SAR patterns produced by groups of structurally related active compounds, which are extracted from large data sets. SAR matrices are systematically generated and sorted on the basis of SAR information content. Matrix generation is computationally efficient and enables processing of large compound sets. The matrix format is reminiscent of SAR tables, and SAR patterns revealed by different categories of matrices are easily interpretable. The structural organization underlying matrix formation is more flexible than standard R-group decomposition schemes. Hence, the resulting matrices capture SAR information in a comprehensive manner.
Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

International Nuclear Information System (INIS)

Wang, C.S.; Freeman, A.J.

1979-01-01

We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations
Accelerating GW calculations with optimal polarizability basis

Energy Technology Data Exchange (ETDEWEB)

Umari, P.; Stenuit, G. [CNR-IOM DEMOCRITOS Theory Elettra Group, Basovizza (Trieste) (Italy); Qian, X.; Marzari, N. [Department of Materials Science and Engineering, MIT, Cambridge, MA (United States); Giacomazzi, L.; Baroni, S. [CNR-IOM DEMOCRITOS Theory Elettra Group, Basovizza (Trieste) (Italy); SISSA - Scuola Internazionale Superiore di Studi Avanzati, Trieste (Italy)

2011-03-15

We present a method for accelerating GW quasi-particle (QP) calculations. This is achieved through the introduction of optimal basis sets for representing polarizability matrices. First the real-space products of Wannier like orbitals are constructed and then optimal basis sets are obtained through singular value decomposition. Our method is validated by calculating the vertical ionization energies of the benzene molecule and the band structure of crystalline silicon. Its potentialities are illustrated by calculating the QP spectrum of a model structure of vitreous silica. Finally, we apply our method for studying the electronic structure properties of a model of quasi-stoichiometric amorphous silicon nitride and of its point defects. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
45 CFR 170.400 - Basis and scope.

Science.gov (United States)

2010-10-01

... Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES HEALTH INFORMATION TECHNOLOGY HEALTH INFORMATION TECHNOLOGY STANDARDS, IMPLEMENTATION SPECIFICATIONS, AND CERTIFICATION CRITERIA AND CERTIFICATION PROGRAMS FOR HEALTH INFORMATION TECHNOLOGY Temporary Certification Program for HIT § 170.400 Basis and scope...
BWR NSSS design basis documentation

International Nuclear Information System (INIS)

Vij, R.S.; Bates, R.E.

2004-01-01

programs that GE has participated in and describes the different options and approaches that have been used by various utilities in their design basis programs. Some of these variations deal with the scope and depth of coverage of the information, while others are related to the process (how the work is done). Both of these topics can have a significant effect on the program cost. Some insight into these effects is provided. The final section of the paper presents a set of lessons learned and a recommendation for an optimum approach to a design basis information program. The lessons learned reflect the knowledge that GE has gained by participating in design basis programs with nineteen domestic and international BWR owner/operators. The optimum approach described in this paper is GE's attempt to define a set of information and a work process for a utility/GE NSSS Design Basis Information program that will maximize the cost effectiveness of the program for the utility. (author)

Implementing standard setting into the Conjoint MAFP/FRACGP Part 1 examination – Process and issues

Directory of Open Access Journals (Sweden)

Chan Sook-Ching

2016-02-01

Full Text Available The College of General Practitioners of Malaysia and the Royal Australian College of General Practitioners held the first Conjoint Member of the College of General Practitioners (MCGP/Fellow of Royal Australian College of General Practitioners (FRACGP examination in 1982, later renamed the Conjoint MAFP/FRACGP examinations. The examination assesses competency for safe independent general practice and as family medicine specialists in Malaysia. Therefore, a defensible standard set pass mark is imperative to separate the competent from the incompetent.
The regulatory framework of accounting and accounting standard-setting bodies in the European Union member states

OpenAIRE

Mamić-Sačer, Ivana

2015-01-01

One of the principal features of accounting in the 21st century is harmonisation and stanardisation. Regulation of the European Parliament and European Council No. 1606/2002 harmonizes financial reporting for certain companies in the EU. However, national accounting principles are of great importance for financial reporting. The main purpose of this research was to investigate the application of generally accepted accounting principles, the regulatory accounting framework and the standard-set...
What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10)

Czech Academy of Sciences Publication Activity Database

Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.

2011-01-01

Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011
The Impact of Process Instructions on Judges' Use of Examinee Performance Data in Angoff Standard Setting Exercises

Science.gov (United States)

Mee, Janet; Clauser, Brian E.; Margolis, Melissa J.

2013-01-01

Despite being widely used and frequently studied, the Angoff standard setting procedure has received little attention with respect to an integral part of the process: how judges incorporate examinee performance data in the decision-making process. Without performance data, subject matter experts have considerable difficulty accurately making the…
Validation of five minimally obstructive methods to estimate physical activity energy expenditure in young adults in semi-standardized settings

DEFF Research Database (Denmark)

Schneller, Mikkel Bo; Pedersen, Mogens Theisen; Gupta, Nidhi

2015-01-01

We compared the accuracy of five objective methods, including two newly developed methods combining accelerometry and activity type recognition (Acti4), against indirect calorimetry, to estimate total energy expenditure (EE) of different activities in semi-standardized settings. Fourteen particip...
Standardized Elemental Basis for Gas-Turbine Engine Heat Exchangers is the Key Factor for Their Cost Reduction

Institute of Scientific and Technical Information of China (English)

Soudarev A.V; Soudarev B.V; Kondratiev V.V; Lazarev M.V

2001-01-01

The competitiveness of the small gas turbine units (GTUs) (Ne＜300 kW) in the world power market is dependent on both the maintenance expenses and the capital costs of production. Reduction in the maintenance expenditures could be achieved by increasing the plant efficiency. This task could be solved by some methods: increasing the cycle inlet temperature TIT, getting the cycle more complex (use of heat regeneration and compressed air intermediate cooling), cutting the power consumption on heat-stressed parts cooling. Putting the above into effect is linked with introduction of novel structural materials, a sharp increase in the mass-size values and the plant manufacture expenditures, in particular, at provision of its self-regulation.In connection with the above, the development of the combined metal-ceramic airheaters and standardization of the elemental basis of the metal gas-gas heat exchangers will promote reduction in the expenditures of the maintenance and the manufacture of the small-size independent power GTEs.
Effectiveness of GAEC cross-compliance Standard 4.2c for biodiversity conservation in set-asides, part II (ground-dwelling Arthropods and Vertebrates

Directory of Open Access Journals (Sweden)

Marta Biaggini

2016-02-01

Full Text Available The MO.NA.CO. project has been set up to evaluate the effectiveness of some GAECs (Good Agricultural and Environmental Conditions through the institution of a monitoring network throughout the Italian territory. The present work deals with the evaluation of the Standard 4.2c, concerning biomass and biodiversity in set-asides, in relation to fauna conservation. Monitoring was performed in three areas, using the following indicators: ground-dwelling Arthropods identified at the order level, Coleoptera identified at the family level and Lacertids. Our results seem to indicate that a mild management of set-asides, consisting in mowing once a year (mid July in the examined areas, may enhance faunal diversity, above all Arthropod diversity. After mowing, the set-asides managed following Standard 4.2, hosted higher levels of Arthropod diversity and a more balanced faunistic composition in comparison to unmoved set-asides and arable lands. On the contrary, we did not find significant effects of mowing on lizard abundance. We also discussed some measures to mitigate the negative direct effects of mechanical mowing on fauna.
Disciplining standard-setting : Which approach to choose (if any)?

NARCIS (Netherlands)

Kanevskaia, Olia; Jacobs, Kai; Blind, Knut

In the world of continuous globalization, standards play a crucial role in transnational economic development. Being the drivers of harmonization and innovation, standards do not only facilitate production and exchange in goods and services, but also carry significant policy implications and create
Disciplining standard-setting : Which approach to choose (if any)

NARCIS (Netherlands)

Kanevskaia, Olia

2017-01-01

In the world of continuous globalization, standards play a crucial role in transnational economic development. Being the drivers of harmonization and innovation, standards do not only facilitate production and exchange in goods and services, but also carry significant policy implications and create
ISO 9001:2000--setting the standard for quality management.

Science.gov (United States)

Edelstein, M E

2001-04-01

How will you approach the next quality management initiative? This article offers an introduction to the ISO 9001:2000 quality management system standards that can be applied to the HIM industry and how these standards can improve your department's policies and procedures.
DOE technical standards list: Department of Energy standards index

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-05-01

This Department of Energy (DOE) technical standards list (TSL) has been prepared by the Office of Nuclear Safety Policy and Standards (EH-31) on the basis of currently available technical information. Periodic updates of this TSL will be issued as additional information is received on standardization documents being issued, adopted, or canceled by DOE. This document was prepared for use by personnel involved in the selection and use of DOE technical standards and other Government and non-Government standards. This TSL provides listings of current DOE technical standards, non-Government standards that have been adopted by DOE, other standards-related documents in which DOE has a recorded interest, and canceled DOE technical standards. Information on new DOE technical standards projects, technical standards released for coordination, recently published DOE technical standards, and activities of non-Government standards bodies that may be of interest to DOE is published monthly in Standards Actions.
Novel gene sets improve set-level classification of prokaryotic gene expression data.

Science.gov (United States)

Holec, Matěj; Kuželka, Ondřej; Železný, Filip

2015-10-28

Set-level classification of gene expression data has received significant attention recently. In this setting, high-dimensional vectors of features corresponding to genes are converted into lower-dimensional vectors of features corresponding to biologically interpretable gene sets. The dimensionality reduction brings the promise of a decreased risk of overfitting, potentially resulting in improved accuracy of the learned classifiers. However, recent empirical research has not confirmed this expectation. Here we hypothesize that the reported unfavorable classification results in the set-level framework were due to the adoption of unsuitable gene sets defined typically on the basis of the Gene ontology and the KEGG database of metabolic networks. We explore an alternative approach to defining gene sets, based on regulatory interactions, which we expect to collect genes with more correlated expression. We hypothesize that such more correlated gene sets will enable to learn more accurate classifiers. We define two families of gene sets using information on regulatory interactions, and evaluate them on phenotype-classification tasks using public prokaryotic gene expression data sets. From each of the two gene-set families, we first select the best-performing subtype. The two selected subtypes are then evaluated on independent (testing) data sets against state-of-the-art gene sets and against the conventional gene-level approach. The novel gene sets are indeed more correlated than the conventional ones, and lead to significantly more accurate classifiers. The novel gene sets are indeed more correlated than the conventional ones, and lead to significantly more accurate classifiers. Novel gene sets defined on the basis of regulatory interactions improve set-level classification of gene expression data. The experimental scripts and other material needed to reproduce the experiments are available at http://ida.felk.cvut.cz/novelgenesets.tar.gz.
Typed Sets as a Basis for Object-Oriented Database Schemas

NARCIS (Netherlands)

Balsters, H.; de By, R.A.; Zicari, R.

The object-oriented data model TM is a language that is based on the formal theory of FM, a typed language with object-oriented features such as attributes and methods in the presence of subtyping. The general (typed) set constructs of FM allow one to deal with (database) constraints in TM. The
Preliminary tank characterization report for single-shell tank 241-TX-111: Best-basis inventory

International Nuclear Information System (INIS)

Place, D.E.

1997-01-01

An effort is underway to provide waste inventory estimates that will serve as standard characterization source terms for the various waste management activities. As part of this effort, an evaluation of available information for single-shell tank 241-TX-111 was performed, and a best-basis inventory was established. This work follows the methodology that was established by the standard inventory task. The best-basis inventory is based on an engineering assessment of waste type, process flowsheet data, early sample data, and/or other available information. The Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes (Kupfer et al. 1997) describes standard methodology used to derive the tank-by-tank best-basis inventories. This preliminary TCR will be updated using this same methodology when additional data on tank contents become available
Preliminary tank characterization report for single-shell tank 241-TX-103: Best-basis inventory

International Nuclear Information System (INIS)

Hendrickson, D.W.

1997-01-01

An effort is underway to provide waste inventory estimates that will serve as standard characterization source terms for the various waste management activities. As part of this effort, an evaluation of available information for single-shell tank 241-TX-103 was performed, and a best-basis inventory was established. This work follows the methodology that was established by the standard inventory task. The best-basis inventory is based on an engineering assessment of waste type, process flowsheet data, early sample data, and/or other available information. The Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes (Kupfer et al. 1997) describes standard methodology used to derive the tank-by-tank best-basis inventories. This preliminary TCR will be updated using this same methodology when additional data on tank contents become available
Setting for technological control of vibropacked uranium-plutonium fuel pins

International Nuclear Information System (INIS)

Golushko, V.V.; Semenov, A.L.; Chukhlova, O.P.; Kuznetsov, A.M.; Korchkov, Yu.N.; Kandrashina, T.A.

1991-01-01

Scanning set-up providing for control of fuel pins by quality of fuel distribution in them is described. The gamma absorption method of fuel density measurement and the method of its own radiation registration are applied. Scintillation detection blocks are used in the measuring equipment mainly consisting of standard CAMAC blocks. Automation of measurements is performed on the basis of the computer complex MERA-60. A complex of programs for automation of the procedures under way is developed, when the facility operates within the test production line of vibroracked uranium-plutonium fuel pins. 6 refs.; 4 figs.; 1 tabs
Design of cognitive engine for cognitive radio based on the rough sets and radial basis function neural network

Science.gov (United States)

Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli

2013-03-01

Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

Science.gov (United States)

Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo

2014-01-01

Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929
Combined search for the standard model Higgs boson decaying to a bb pair using the full CDF data set.

Science.gov (United States)

Aaltonen, T; Álvarez González, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Binkley, M E; Bisello, D; Bizjak, I; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Calamba, A; Calancha, C; Camarda, S; Campanelli, M; Campbell, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, K; Chokheli, D; Chung, W H; Chung, Y S; Ciocci, M A; Clark, A; Clarke, C; Compostella, G; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Crescioli, F; Cuevas, J; Culbertson, R; Dagenhart, D; d'Ascenzo, N; Datta, M; de Barbaro, P; Dell'Orso, M; Demortier, L; Deninno, M; Devoto, F; d'Errico, M; Di Canto, A; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dong, P; Dorigo, M; Dorigo, T; Ebina, K; Elagin, A; Eppig, A; Erbacher, R; Errede, S; Ershaidat, N; Eusebi, R; Farrington, S; Feindt, M; Fernandez, J P; Ferrazza, C; Field, R; Flanagan, G; Forrest, R; Frank, M J; Franklin, M; Freeman, J C; Funakoshi, Y; Furic, I; Gallinaro, M; Garcia, J E; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Giannetti, P; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Goldschmidt, N; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Grinstein, S; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Halkiadakis, E; Hamaguchi, A; Han, J Y; Happacher, F; Hara, K; Hare, D; Hare, M; Harr, R F; Hatakeyama, K; Hays, C; Heck, M; Heinrich, J; Herndon, M; Hewamanage, S; Hocker, A; Hopkins, W; Horn, D; Hou, S; Hughes, R E; Hurwitz, M; Husemann, U; Hussain, N; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeans, D T; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kim, Y J; Kimura, N; Kirby, M; Klimenko, S; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Krop, D; Kruse, M; Krutelyov, V; Kuhr, T; Kurata, M; Kwang, S; Laasanen, A T; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; LeCompte, T; Lee, E; Lee, H S; Lee, J S; Lee, S W; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lin, C-J; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, C; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maeshima, K; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, C; Martínez, M; Mastrandrea, P; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Mondragon, M N; Moon, C S; Moore, R; Morello, M J; Morlock, J; Movilla Fernandez, P; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Neubauer, M S; Nielsen, J; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagan Griso, S; Pagliarone, C; Palencia, E; Papadimitriou, V; Paramonov, A A; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Prokoshin, F; Pranko, A; Ptohos, F; Punzi, G; Rahaman, A; Ramakrishnan, V; Ranjan, N; Redondo, I; Renton, P; Rescigno, M; Riddick, T; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rodriguez, T; Rogers, E; Rolli, S; Roser, R; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Safonov, A; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, A; Schmidt, E E; Schwarz, T; Scodellaro, L; Scribano, A; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sinervo, P; Sliwa, K; Smith, J R; Snider, F D; Soha, A; Sorin, V; Song, H; Squillacioti, P; Stancari, M; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Strycker, G L; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thome, J; Thompson, G A; Thomson, E; Tipton, P; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Varganov, A; Vázquez, F; Velev, G; Vellidis, C; Vidal, M; Vila, I; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wagner, R L; Wakisaka, T; Wallny, R; Wang, S M; Warburton, A; Waters, D; Wester, W C; Whiteson, D; Wicklund, A B; Wicklund, E; Wilbur, S; Wick, F; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanetti, A; Zeng, Y; Zhou, C; Zucchelli, S

2012-09-14

We combine the results of searches for the standard model (SM) Higgs boson based on the full CDF Run II data set obtained from sqrt[s]=1.96 TeV pp collisions at the Fermilab Tevatron corresponding to an integrated luminosity of 9.45 fb(-1). The searches are conducted for Higgs bosons that are produced in association with a W or Z boson, have masses in the range 90-150 GeV/c(2), and decay into bb pairs. An excess of data is present that is inconsistent with the background prediction at the level of 2.5 standard deviations (the most significant local excess is 2.7 standard deviations).
The status of Korean nuclear codes and standards

International Nuclear Information System (INIS)

Namha Kim; Jong-Hae Kim

2005-01-01

Korea Electric Power Industry Code (KEPIC), a set of integrated standards applicable to the design, construction and operation of electric power facilities including nuclear power plants, has been developed on the basis of referring to the prevailing U.S. codes and standards which had been applied to the electric power facilities in Korea. Being the developing and managing organization of KEPIC, Korea Electric Association (KEA) published its first edition in 1995, the second in 200,0 and is expected to publish the 2005 edition. KEPIC was applied to the construction of Ulchin Nuclear Units 5 and 6 in 1997, and will be applicable to the construction of forthcoming nuclear power plants in Korea. Along with the effectuation of the Agreement on Technical Barriers to Trade (TBT) in 1995, the international trend related to codes and standards is changing rapidly. The KEA is, therefore, making its utmost efforts so as for KEPIC to keep abreast with the changing environment in international arena. KEA notified ISO/IEC Information Centre of its acceptance of the Code of Good Practice in the Agreement on TBT. The 2005 KEPIC edition will be retrofitted according to the ISO/IEC Guide 21- Adoption of International Standards as regional or national standards. KEA's efforts will help KEPIC correspond with international standards such as ISO/IEC standards, and internationally recognized standards such as ASME codes and standards. (authors)

Legal and ethical standards for protecting women's human rights and the practice of conscientious objection in reproductive healthcare settings.

Science.gov (United States)

Zampas, Christina

2013-12-01

The practice of conscientious objection by healthcare workers is growing across the globe. It is most common in reproductive healthcare settings because of the religious or moral values placed on beliefs as to when life begins. It is often invoked in the context of abortion and contraceptive services, including the provision of information related to such services. Few states adequately regulate the practice, leading to denial of access to lawful reproductive healthcare services and violations of fundamental human rights. International ethical, health, and human rights standards have recently attempted to address these challenges by harmonizing the practice of conscientious objection with women's right to sexual and reproductive health services. FIGO ethical standards have had an important role in influencing human rights development in this area. They consider regulation of the unfettered use of conscientious objection essential to the realization of sexual and reproductive rights. Under international human rights law, states have a positive obligation to act in this regard. While ethical and human rights standards regarding this issue are growing, they do not yet exhaustively cover all the situations in which women's health and human rights are in jeopardy because of the practice. The present article sets forth existing ethical and human rights standards on the issue and illustrates the need for further development and clarity on balancing these rights and interests. Copyright © 2013 International Federation of Gynecology and Obstetrics. Published by Elsevier Ireland Ltd. All rights reserved.
Assessment of United States industry structural codes and standards for application to advanced nuclear power reactors: Appendices. Volume 2

International Nuclear Information System (INIS)

Adams, T.M.; Stevenson, J.D.

1995-10-01

Throughout its history, the USNRC has remained committed to the use of industry consensus standards for the design, construction, and licensing of commercial nuclear power facilities. The existing industry standards are based on the current class of light water reactors and as such may not adequately address design and construction features of the next generation of Advanced Light Water Reactors and other types of Advanced Reactors. As part of their on-going commitment to industry standards, the USNRC commissioned this study to evaluate US industry structural standards for application to Advanced Light Water Reactors and Advanced Reactors. The initial review effort included (1) the review and study of the relevant reactor design basis documentation for eight Advanced Light Water Reactors and Advanced Reactor Designs, (2) the review of the USNRCs design requirements for advanced reactors, (3) the review of the latest revisions of the relevant industry consensus structural standards, and (4) the identification of the need for changes to these standards. The results of these studies were used to develop recommended changes to industry consensus structural standards which will be used in the construction of Advanced Light Water Reactors and Advanced Reactors. Over seventy sets of proposed standard changes were recommended and the need for the development of four new structural standards was identified. In addition to the recommended standard changes, several other sets of information and data were extracted for use by USNRC in other on-going programs. This information included (1) detailed observations on the response of structures and distribution system supports to the recent Northridge, California (1994) and Kobe, Japan (1995) earthquakes, (2) comparison of versions of certain standards cited in the standard review plan to the most current versions, and (3) comparison of the seismic and wind design basis for all the subject reactor designs
An improved set of standards for finding cost for cost-effectiveness analysis.

Science.gov (United States)

Barnett, Paul G

2009-07-01

Guidelines have helped standardize methods of cost-effectiveness analysis, allowing different interventions to be compared and enhancing the generalizability of study findings. There is agreement that all relevant services be valued from the societal perspective using a long-term time horizon and that more exact methods be used to cost services most affected by the study intervention. Guidelines are not specific enough with respect to costing methods, however. The literature was reviewed to identify the problems associated with the 4 principal methods of cost determination. Microcosting requires direct measurement and is ordinarily reserved to cost novel interventions. Analysts should include nonwage labor cost, person-level and institutional overhead, and the cost of development, set-up activities, supplies, space, and screening. Activity-based cost systems have promise of finding accurate costs of all services provided, but are not widely adopted. Quality must be evaluated and the generalizability of cost estimates to other settings must be considered. Administrative cost estimates, chiefly cost-adjusted charges, are widely used, but the analyst must consider items excluded from the available system. Gross costing methods determine quantity of services used and employ a unit cost. If the intervention will affect the characteristics of a service, the method should not assume that the service is homogeneous. Questions are posed for future reviews of the quality of costing methods. The analyst must avoid inappropriate assumptions, especially those that bias the analysis by exclusion of costs that are affected by the intervention under study.
Status of existing federal environmental risk-based standards applicable to Department of Energy operations

International Nuclear Information System (INIS)

Bilyard, G.R.; Jonas, R.J.; Wallo, A. III

1991-01-01

When conducting its environmental restoration, waste management, and decontamination and decommissioning activities, the US Department of Energy (DOE) must comply with a myriad of regulatory procedures and environmental standards. An assessment of the status of existing federal standards that may be applied to chemical and radioactive substances on DOE sites found substantial gaps and inconsistencies among the existing standards, and technical issues associated with the application of those standards. Of 271 chemical and radioactive substances found to be important across environmental media at the Hanford, Savannah River, and Oak Ridge Sites, 96 (35%) are unregulated by federal regulations and are not covered by DOE guidelines, 48 (18%) are covered by single federal standards or DOE guidelines, and 127 (47%) are covered by multiple regulations or DOE guidelines. Inconsistencies and technical issues among standards include the promulgation of different standards under different regulations for a given substance in an environmental medium, the application of standards for purposes other than originally intended, and the inability to meet standards because of technical limitations. Given the lack of a complete, consistent set of standards or generic procedures for determining applicable standards, and given the existence of inconsistencies and technical issues among the existing set of standards, DOE may be faced with lengthy negotiations of standards on a case-by-case basis. Such negotiations could result in inconsistent cleanup levels, high costs, potential delays, and missed regulatory milestones
Are we ready to apply the de minimis concept to standard setting: a historical approach

International Nuclear Information System (INIS)

Stannard, J.N.

1984-01-01

The pros and cons of the de minimis concept is discussed from a historical point of view. The purpose is first to indicate how long ago many common occupational hazards were recognized and second to conclude that there had to be exposure levels that were essentially trivial, i.e., de minimis. Some aspects of the history of radiation protection are presented. The topics of discussion include: empiricism; the tolerance dose; the maximum permissible exposure dose; as low as possible dose (ALAP) and as low as reasonable achievable (ALARA); and the challenge of the '80s. In the '80s with the strong movement to use risk as a basis for both radiation and chemical standards, the need for adding the concept of a trivial risk has taken hold. Some examples of possible de minimis levels, as well as some of the problems and current activities, are presented
42 CFR 493.1800 - Basis and scope.

Science.gov (United States)

2010-10-01

... laboratories that perform clinical diagnostic tests on human specimens when those laboratories are found to be... specified in the statute. (2) The Clinical Laboratories Improvement Act of 1967 (section 353 of the Public...) STANDARDS AND CERTIFICATION LABORATORY REQUIREMENTS Enforcement Procedures § 493.1800 Basis and scope. (a...
ISO 31000:2009--Setting a new standard for risk management.

Science.gov (United States)

Purdy, Grant

2010-06-01

Last year saw the publication of IS0 31000:2009, a new globally accepted standard for risk management together with a new, associated vocabulary in ISO Guide 73:2009. These were developed through a consensus-driven process over four years, through seven drafts, and involving the input of hundreds of risk management professionals around the world. The new standard supports a new, simple way of thinking about risk and risk management and is intended to begin the process of resolving the many inconsistencies and ambiguities that exist between many different approaches and definitions. While most decisionmakers seem to welcome the new standard and it has so far received very good reviews, it does create challenges for those who use language and approaches that are unique to their area of work but different from the new standard and guide. The need for compromise and change is the inevitable consequence of standardization.
Setting pass scores for clinical skills assessment.

Science.gov (United States)

Liu, Min; Liu, Keh-Min

2008-12-01

In a clinical skills assessment, the decision to pass or fail an examinee should be based on the test content or on the examinees' performance. The process of deciding a pass score is known as setting a standard of the examination. This requires a properly selected panel of expert judges and a suitable standard setting method, which best fits the purpose of the examination. Six standard setting methods that are often used in clinical skills assessment are described to provide an overview of the standard setting process.
Setting Performance Standards for Technical and Nontechnical Competence in General Surgery.

Science.gov (United States)

Szasz, Peter; Bonrath, Esther M; Louridas, Marisa; Fecso, Andras B; Howe, Brett; Fehr, Adam; Ott, Michael; Mack, Lloyd A; Harris, Kenneth A; Grantcharov, Teodor P

2017-07-01

The objectives of this study were to (1) create a technical and nontechnical performance standard for the laparoscopic cholecystectomy, (2) assess the classification accuracy and (3) credibility of these standards, (4) determine a trainees' ability to meet both standards concurrently, and (5) delineate factors that predict standard acquisition. Scores on performance assessments are difficult to interpret in the absence of established standards. Trained raters observed General Surgery residents performing laparoscopic cholecystectomies using the Objective Structured Assessment of Technical Skill (OSATS) and the Objective Structured Assessment of Non-Technical Skills (OSANTS) instruments, while as also providing a global competent/noncompetent decision for each performance. The global decision was used to divide the trainees into 2 contrasting groups and the OSATS or OSANTS scores were graphed per group to determine the performance standard. Parametric statistics were used to determine classification accuracy and concurrent standard acquisition, receiver operator characteristic (ROC) curves were used to delineate predictive factors. Thirty-six trainees were observed 101 times. The technical standard was an OSATS of 21.04/35.00 and the nontechnical standard an OSANTS of 22.49/35.00. Applying these standards, competent/noncompetent trainees could be discriminated in 94% of technical and 95% of nontechnical performances (P < 0.001). A 21% discordance between technically and nontechnically competent trainees was identified (P < 0.001). ROC analysis demonstrated case experience and trainee level were both able to predict achieving the standards with an area under the curve (AUC) between 0.83 and 0.96 (P < 0.001). The present study presents defensible standards for technical and nontechnical performance. Such standards are imperative to implementing summative assessments into surgical training.
Expressing clinical data sets with openEHR archetypes: a solid basis for ubiquitous computing.

Science.gov (United States)

Garde, Sebastian; Hovenga, Evelyn; Buck, Jasmin; Knaup, Petra

2007-12-01

The purpose of this paper is to analyse the feasibility and usefulness of expressing clinical data sets (CDSs) as openEHR archetypes. For this, we present an approach to transform CDS into archetypes, and outline typical problems with CDS and analyse whether some of these problems can be overcome by the use of archetypes. Literature review and analysis of a selection of existing Australian, German, other European and international CDSs; transfer of a CDS for Paediatric Oncology into openEHR archetypes; implementation of CDSs in application systems. To explore the feasibility of expressing CDS as archetypes an approach to transform existing CDSs into archetypes is presented in this paper. In case of the Paediatric Oncology CDS (which consists of 260 data items) this lead to the definition of 48 openEHR archetypes. To analyse the usefulness of expressing CDS as archetypes, we identified nine problems with CDS that currently remain unsolved without a common model underpinning the CDS. Typical problems include incompatible basic data types and overlapping and incompatible definitions of clinical content. A solution to most of these problems based on openEHR archetypes is motivated. With regard to integrity constraints, further research is required. While openEHR cannot overcome all barriers to Ubiquitous Computing, it can provide the common basis for ubiquitous presence of meaningful and computer-processable knowledge and information, which we believe is a basic requirement for Ubiquitous Computing. Expressing CDSs as openEHR archetypes is feasible and advantageous as it fosters semantic interoperability, supports ubiquitous computing, and helps to develop archetypes that are arguably of better quality than the original CDS.
Probing community nurses' professional basis

DEFF Research Database (Denmark)

Schaarup, Clara; Pape-Haugaard, Louise; Jensen, Merete Hartun

2017-01-01

Complicated and long-lasting wound care of diabetic foot ulcers are moving from specialists in wound care at hospitals towards community nurses without specialist diabetic foot ulcer wound care knowledge. The aim of the study is to elucidate community nurses' professional basis for treating...... diabetic foot ulcers. A situational case study design was adopted in an archetypical Danish community nursing setting. Experience is a crucial component in the community nurses' professional basis for treating diabetic foot ulcers. Peer-to-peer training is the prevailing way to learn about diabetic foot...... ulcer, however, this contributes to the risk of low evidence-based practice. Finally, a frequent behaviour among the community nurses is to consult colleagues before treating the diabetic foot ulcers....
Basic Safety Standards for Radiation Protection

International Nuclear Information System (INIS)

1962-01-01

Pursuant to the provisions of its Statute relevant to the adoption and application of safety standards for protection against radiation, the Agency convened a panel of experts which formulated the Basic Safety Standards set forth in this publication. The panel met under the chairmanship of Professor L. Bugnard, Director of the French Institut National d'Hygiene, and representatives of the United Nations and of several of its specialized agencies participated in its work. The Basic Safety Standards thus represent the result of a most careful assessment of the variety of complex scientific and administrative problems involved. Nevertheless, of course, they will need to be revised from time to time in the light of advances in scientific knowledge, of comments received from Member States and of the work of other competent international organizations. The Agency's Board of Governors in June 1962 approved the Standards as a first edition, subject to later revision as mentioned above, and authorized Director General Sigvard Eklund to apply the Standards in Agency and Agency-assisted operations and to invite Governments of Member States to take them as a basis in formulating national regulations or recommendations on protection against the dangers arising from ionizing radiations. It is mainly for this last purpose that the Basic Safety Standards are now being published in the Safety Series; but it is hoped that this publication will also interest a much wider circle of readers.
The basis property of eigenfunctions in the problem of a nonhomogeneous damped string

Directory of Open Access Journals (Sweden)

Łukasz Rzepnicki

2017-01-01

Full Text Available The equation which describes the small vibrations of a nonhomogeneous damped string can be rewritten as an abstract Cauchy problem for the densely defined closed operator \\(i A\\. We prove that the set of root vectors of the operator \\(A\\ forms a basis of subspaces in a certain Hilbert space \\(H\\. Furthermore, we give the rate of convergence for the decomposition with respect to this basis. In the second main result we show that with additional assumptions the set of root vectors of the operator \\(A\\ is a Riesz basis for \\(H\\.
Medical teams and the standard of care in negligence.

Science.gov (United States)

Sappideen, Carolyn

2015-09-01

Medical teams are essential to the delivery of modern, patient-centred health care in hospitals. A collective model of responsibility envisaged by team care is inconsistent with common law tort liability which focuses on the individual rather than the team. There is no basis upon which a team can be liable as a collective at common law. Nor does the common law'countenance liability for the conduct of other team members absent some form of agency, vicarious liability or non-delegable duty. Despite the barriers to the adoption of a team standard of care in negligence, there is scope for team factors to have a role in determining the standard of care so that being a team player is part and parcel of what it is to be a competent professional. If this is the case, the skill set, and the standard of care expected of the individual professional, includes skills based on team models of communication, cross-monitoring and trust.
European standards for composite construction

NARCIS (Netherlands)

Stark, J.W.B.

2000-01-01

The European Standards Organisation (CEN) has planned to develop a complete set of harmonized European building standards. This set includes standards for composite steel and concrete buildings and bridges. The Eurocodes, being the design standards, form part of this total system of European
Setting Pass Scores for Clinical Skills Assessment

Directory of Open Access Journals (Sweden)

Min Liu

2008-12-01

Full Text Available In a clinical skills assessment, the decision to pass or fail an examinee should be based on the test content or on the examinees' performance. The process of deciding a pass score is known as setting a standard of the examination. This requires a properly selected panel of expert judges and a suitable standard setting method, which best fits the purpose of the examination. Six standard setting methods that are often used in clinical skills assessment are described to provide an overview of the standard setting process.
47 CFR 17.1 - Basis and purpose.

Science.gov (United States)

2010-10-01

... antenna structure owners. The standards are referenced from two Federal Aviation Administration (FAA... STRUCTURES General Information § 17.1 Basis and purpose. (a) The rules in this part are issued pursuant to the authority contained in Title III of the Communications Act of 1934, as amended, which vest...
Standardization of computer programs - basis of the Czechoslovak library of nuclear codes

International Nuclear Information System (INIS)

Gregor, M.

1987-01-01

A standardized form of computer code documentation has been established in the CSSR in the field of reactor safety. Structure and content of the documentation are described and codes already subject to this process are mentioned. The formation of a Czechoslovak nuclear code library and facilitated discussion of safety reports containing results of standardized codes are aimed at
The best-interests standard as threshold, ideal, and standard of reasonableness.

Science.gov (United States)

Kopelman, L M

1997-06-01

The best-interests standard is a widely used ethical, legal, and social basis for policy and decision-making involving children and other incompetent persons. It is under attack, however, as self-defeating, individualistic, unknowable, vague, dangerous, and open to abuse. The author defends this standard by identifying its employment, first, as a threshold for intervention and judgment (as in child abuse and neglect rulings), second, as an ideal to establish policies or prima facie duties, and, third, as a standard of reasonableness. Criticisms of the best-interests standard are reconsidered after clarifying these different meanings.
Statistical Methods for Estimating the Uncertainty in the Best Basis Inventories

International Nuclear Information System (INIS)

WILMARTH, S.R.

2000-01-01

This document describes the statistical methods used to determine sample-based uncertainty estimates for the Best Basis Inventory (BBI). For each waste phase, the equation for the inventory of an analyte in a tank is Inventory (Kg or Ci) = Concentration x Density x Waste Volume. the total inventory is the sum of the inventories in the different waste phases. Using tanks sample data: statistical methods are used to obtain estimates of the mean concentration of an analyte the density of the waste, and their standard deviations. The volumes of waste in the different phases, and their standard deviations, are estimated based on other types of data. The three estimates are multiplied to obtain the inventory estimate. The standard deviations are combined to obtain a standard deviation of the inventory. The uncertainty estimate for the Best Basis Inventory (BBI) is the approximate 95% confidence interval on the inventory

Direct magnitude estimates of speech intelligibility in dysarthria: effects of a chosen standard.

Science.gov (United States)

Weismer, Gary; Laures, Jacqueline S

2002-06-01

Direct magnitude estimation (DME) has been used frequently as a perceptual scaling technique in studies of the speech intelligibility of persons with speech disorders. The technique is typically used with a standard, or reference stimulus, chosen as a good exemplar of "midrange" intelligibility. In several published studies, the standard has been chosen subjectively, usually on the basis of the expertise of the investigators. The current experiment demonstrates that a fixed set of sentence-level utterances, obtained from 4 individuals with dysarthria (2 with Parkinson disease, 2 with traumatic brain injury) as well as 3 neurologically normal speakers, is scaled differently depending on the identity of the standard. Four different standards were used in the main experiment, three of which were judged qualitatively in two independent evaluations to be good exemplars of midrange intelligibility. Acoustic analyses did not reveal obvious differences between these four standards but suggested that the standard with the worst-scaled intelligibility had much poorer voice source characteristics compared to the other three standards. Results are discussed in terms of possible standardization of midrange intelligibility exemplars for DME experiments.
The New Architecture for Auditing Standards

OpenAIRE

Sorin-Sandu Vînătoru; Sorinel Domnişoru; Daniela Giurescu

2009-01-01

The purpose of this paper is to challenge the conceptual basis upon which the current auditing standards are based. The paper critically appraises the Auditors’ Code published by the Auditing Practices Board and containing the nine fundamental and enduring principles upon which current auditing standards are based. It is argued that the nine enduring principles should be replaced by seven enduring tensions – the fault lines of auditing - so as to rethink the conceptual basis of auditing stand...
Authorization basis requirements comparison report

Energy Technology Data Exchange (ETDEWEB)

Brantley, W.M.

1997-08-18

The TWRS Authorization Basis (AB) consists of a set of documents identified by TWRS management with the concurrence of DOE-RL. Upon implementation of the TWRS Basis for Interim Operation (BIO) and Technical Safety Requirements (TSRs), the AB list will be revised to include the BIO and TSRs. Some documents that currently form part of the AB will be removed from the list. This SD identifies each - requirement from those documents, and recommends a disposition for each to ensure that necessary requirements are retained when the AB is revised to incorporate the BIO and TSRs. This SD also identifies documents that will remain part of the AB after the BIO and TSRs are implemented. This document does not change the AB, but provides guidance for the preparation of change documentation.
Authorization basis requirements comparison report

International Nuclear Information System (INIS)

Brantley, W.M.

1997-01-01

The TWRS Authorization Basis (AB) consists of a set of documents identified by TWRS management with the concurrence of DOE-RL. Upon implementation of the TWRS Basis for Interim Operation (BIO) and Technical Safety Requirements (TSRs), the AB list will be revised to include the BIO and TSRs. Some documents that currently form part of the AB will be removed from the list. This SD identifies each - requirement from those documents, and recommends a disposition for each to ensure that necessary requirements are retained when the AB is revised to incorporate the BIO and TSRs. This SD also identifies documents that will remain part of the AB after the BIO and TSRs are implemented. This document does not change the AB, but provides guidance for the preparation of change documentation
TreeBASIS Feature Descriptor and Its Hardware Implementation

Directory of Open Access Journals (Sweden)

Spencer Fowers

2014-01-01

Full Text Available This paper presents a novel feature descriptor called TreeBASIS that provides improvements in descriptor size, computation time, matching speed, and accuracy. This new descriptor uses a binary vocabulary tree that is computed using basis dictionary images and a test set of feature region images. To facilitate real-time implementation, a feature region image is binary quantized and the resulting quantized vector is passed into the BASIS vocabulary tree. A Hamming distance is then computed between the feature region image and the effectively descriptive basis dictionary image at a node to determine the branch taken and the path the feature region image takes is saved as a descriptor. The TreeBASIS feature descriptor is an excellent candidate for hardware implementation because of its reduced descriptor size and the fact that descriptors can be created and features matched without the use of floating point operations. The TreeBASIS descriptor is more computationally and space efficient than other descriptors such as BASIS, SIFT, and SURF. Moreover, it can be computed entirely in hardware without the support of a CPU for additional software-based computations. Experimental results and a hardware implementation show that the TreeBASIS descriptor compares well with other descriptors for frame-to-frame homography computation while requiring fewer hardware resources.
Technical Basis - Spent Nuclear Fuels (SNF) Project Radiation and Contamination Trending Program

International Nuclear Information System (INIS)

ELGIN, J.C.

2000-01-01

This report documents the technical basis for the Spent Nuclear Fuel (SNF) Program radiation and contamination trending program. The program consists of standardized radiation and contamination surveys of the KE Basin, radiation surveys of the KW basin, radiation surveys of the Cold Vacuum Drying Facility (CVD), and radiation surveys of the Canister Storage Building (CSB) with the associated tracking. This report also discusses the remainder of radiological areas within the SNFP that do not have standardized trending programs and the basis for not having this program in those areas
Assessment of WWER fuel condition in design basis accident

International Nuclear Information System (INIS)

Bibilashvili, Yu.; Sokolov, N.; Andreeva-Andrievskaya, L.; Vlasov, Yu.; Nechaeva, O.; Salatov, A.

1994-01-01

The fuel behaviour in design basis accidents is assessed by means of the verified code RAPTA-5. The code uses a set of high temperature physico-chemical properties of the fuel components as determined for commercially produced materials, fuel rod simulators and fuel rod bundles. The WWER fuel criteria available in Russia for design basis accidents do not generally differ from the similar criteria adopted for PWR's. 12 figs., 11 refs
Multiple-scattering theory with a truncated basis set

International Nuclear Information System (INIS)

Zhang, X.; Butler, W.H.

1992-01-01

Multiple-scattering theory (MST) is an extremely efficient technique for calculating the electronic structure of an assembly of atoms. The wave function in MST is expanded in terms of spherical waves centered on each atom and indexed by their orbital and azimuthal quantum numbers, l and m. The secular equation which determines the characteristic energies can be truncated at a value of the orbital angular momentum l max , for which the higher angular momentum phase shifts, δ l (l>l max ), are sufficiently small. Generally, the wave-function coefficients which are calculated from the secular equation are also truncated at l max . Here we point out that this truncation of the wave function is not necessary and is in fact inconsistent with the truncation of the secular equation. A consistent procedure is described in which the states with higher orbital angular momenta are retained but with their phase shifts set to zero. We show that this treatment gives smooth, continuous, and correctly normalized wave functions and that the total charge density calculated from the corresponding Green function agrees with the Lloyd formula result. We also show that this augmented wave function can be written as a linear combination of Andersen's muffin-tin orbitals in the case of muffin-tin potentials, and can be used to generalize the muffin-tin orbital idea to full-cell potentals
Slope across the Curriculum: Principles and Standards for School Mathematics and Common Core State Standards

Science.gov (United States)

Nagle, Courtney; Moore-Russo, Deborah

2014-01-01

This article provides an initial comparison of the Principles and Standards for School Mathematics and the Common Core State Standards for Mathematics by examining the fundamental notion of slope. Each set of standards is analyzed using eleven previously identified conceptualizations of slope. Both sets of standards emphasize Functional Property,…
Doubly stochastic radial basis function methods

Science.gov (United States)

Yang, Fenglian; Yan, Liang; Ling, Leevan

2018-06-01

We propose a doubly stochastic radial basis function (DSRBF) method for function recoveries. Instead of a constant, we treat the RBF shape parameters as stochastic variables whose distribution were determined by a stochastic leave-one-out cross validation (LOOCV) estimation. A careful operation count is provided in order to determine the ranges of all the parameters in our methods. The overhead cost for setting up the proposed DSRBF method is O (n2) for function recovery problems with n basis. Numerical experiments confirm that the proposed method not only outperforms constant shape parameter formulation (in terms of accuracy with comparable computational cost) but also the optimal LOOCV formulation (in terms of both accuracy and computational cost).
The Biological Basis of Learning and Individuality.

Science.gov (United States)

Kandel, Eric R.; Hawkins, Robert D.

1992-01-01

Describes the biological basis of learning and individuality. Presents an overview of recent discoveries that suggest learning engages a simple set of rules that modify the strength of connection between neurons in the brain. The changes are cited as playing an important role in making each individual unique. (MCO)
Radiobiological input to radiation protection standards

International Nuclear Information System (INIS)

Bond, V.P.

1981-01-01

A brief review of the radiobiological data relevant to radiation protection standards is given. In particular the nature of the dose-response relationships for mutagenesis and carcinogenesis in animals and man is discussed with reference to the BEIR 1 1972, the NRC75, the UNSCEAR 77 and the NCRP80 Reports. It was concluded that the linear-no-threshold relationship for mutagenesis and carcinogenesis is too simple and that the relationship is best described by curves of varying slopes depending on the dose rate. By examining the data on the incidence of actual tumour systems in animals and man in relation to radiation dose, it was shown that the relationships developed in the simple Tradescantia single-cell system appear to hold widely throughout radiobiology. In developing radiation protection standards, first animal and human radiobiological data were used in determining an appropriate risk coefficient for late and genetic effects for the human being, and second an appropriate comparison of radiation and other more common risks was used as a basis for setting limits of incidence in the exposed population/individual. (U.K.)
Standard operating procedures improve acute neurologic care in a sub-Saharan African setting.

Science.gov (United States)

Jaiteh, Lamin E S; Helwig, Stefan A; Jagne, Abubacarr; Ragoschke-Schumm, Andreas; Sarr, Catherine; Walter, Silke; Lesmeister, Martin; Manitz, Matthias; Blaß, Sebastian; Weis, Sarah; Schlund, Verena; Bah, Neneh; Kauffmann, Jil; Fousse, Mathias; Kangankan, Sabina; Ramos Cabrera, Asmell; Kronfeld, Kai; Ruckes, Christian; Liu, Yang; Nyan, Ousman; Fassbender, Klaus

2017-07-11

Quality of neurologic emergency management in an under-resourced country may be improved by standard operating procedures (SOPs). Neurologic SOPs were implemented in a large urban (Banjul) and a small rural (Brikama) hospital in the Gambia. As quality indicators of neurologic emergency management, performance of key procedures was assessed at baseline and in the first and second implementation years. At Banjul, 100 patients of the first-year intervention group exhibited higher rates of general procedures of emergency management than 105 control patients, such as neurologic examination (99.0% vs 91.4%; p process quality of neurologic emergency management in under-resourced settings. This study provides Class IV evidence that, for patients with suspected neurologic emergencies in sub-Saharan Africa, neurologic SOPs increase the rate of performance of guideline-recommended procedures. Copyright © 2017 The Author(s). Published by Wolters Kluwer Health, Inc. on behalf of the American Academy of Neurology.
NEG and NIOSH basis for an occupational health standard: 2-diethylaminoethanol

Energy Technology Data Exchange (ETDEWEB)

Toren, K.

1996-05-01

Health effects associated with occupational exposure to 2-diethylaminoethanol (DEAE) were reviewed as part of the agreement between NIOSH and the Nordic Expert Group for Criteria Documentation of Health Risks from Chemicals to exchange information and expertise in the area of occupational safety and health to provide a scientific basis for the establishment of recommended occupational exposure limits. The occurrence, use, pharmacokinetics, toxicology, immunotoxicity and organ systems, mutagenic, genotoxic, carcinogenic, and reproductive effects of DEAE were reviewed. Three reports of clusters of cases associated with DEAE exposure were described, as were studies examining the dose response relationship of DEAE in humans and experimental animals.
A case of standardization?

DEFF Research Database (Denmark)

Rod, Morten Hulvej; Høybye, Mette Terp

2016-01-01

the ones envisioned by the makers of standards. In 2012, the Danish National Health Authorities introduced a set of health promotion guidelines that were meant to guide the decision making and priority setting of Denmark's 98 local governments. The guidelines provided recommendations for health promotion...... and standardization. It remains an open question whether or not the guidelines lead to more standardized policies and interventions, but we suggest that the guidelines promote a risk factor-oriented approach as the dominant frame for knowledge, reasoning, decision making and priority setting in health promotion. We...
Developing necessary and sufficient sets of environmental, safety, and health standards at the Department of Energy

International Nuclear Information System (INIS)

Nelson, D.B.; Troy, A.W.

1995-01-01

The U.S. Department of Energy (DOE) is committed to protect its workers, the public, and the environment. To do this, we must understand our work and its potential hazards and tailor our protection to those hazards. Until now, the DOE has regulated environmental, safety, and health aspects of our work through orders and, more recently, through rules. However, it has become apparent that our current approach suffers from several disadvantages. Most notably, it has been difficult to craft orders that recognize and deal effectively with the wide diversity in our work; this can lead to inappropriate requirements and can even compromise safety. Also, the current approach does not easily incorporate the benefits of experience; our practices can become obsolete or ineffectual. This report describes efforts of DOE towards the development of an integrated standards program as the basis for ensuring the protection of workers, public and the environment
Stability check source measurements with a secondary standard dosimeter in SSDL-Pakistan

International Nuclear Information System (INIS)

Salman, S.; Mahmoud, K.; Orfi, S.D.

1988-01-01

The stability check source is an integral part of a Secondary Standard Dosimetry System. The purpose of the stability check source is to confirm that the overall response of the dosimeter has not changed significantly since the instrument was calibrated. In case any change in the sensitivity of the ionization chamber or measuring assembly occurs the same is reflected in the reference check source measurements. Stability check source measurements are taken in a Primary Standard Dosimetry Laboratory (PSDL) at the time of calibration of secondary standard dosimeter and mean time (in seconds) to the reference setting of 50 scale divisions with ambient conditions of air at 20 deg. C, 101.3 kPa and 50% RH is quoted in a calibration certificate. This quoted stability check source time figure is the basis for future confirmation of overall response of the secondary standard dosimeter system. This note presents the results of stability check source measurements carried out in SSDL Pakistan over a period of five years
Assessment of WWER fuel condition in design basis accident

Energy Technology Data Exchange (ETDEWEB)

Bibilashvili, Yu; Sokolov, N; Andreeva-Andrievskaya, L; Vlasov, Yu; Nechaeva, O; Salatov, A [Vsesoyuznyj Nauchno-Issledovatel` skij Inst. Neorganicheskikh Materialov, Moscow (Russian Federation)

1994-12-31

The fuel behaviour in design basis accidents is assessed by means of the verified code RAPTA-5. The code uses a set of high temperature physico-chemical properties of the fuel components as determined for commercially produced materials, fuel rod simulators and fuel rod bundles. The WWER fuel criteria available in Russia for design basis accidents do not generally differ from the similar criteria adopted for PWR`s. 12 figs., 11 refs.
Preliminary tank characterization report for single-shell tank 241-TX-101: best-basis inventory

International Nuclear Information System (INIS)

Kupfer, M.J.

1997-01-01

This document is a preliminary Tank Characterization Report (TCR). It only contains the current best-basis inventory (Appendix D) for single-shell tank 241-TX-101. No TCRs have been previously issued for this tank, and current core sample analyses are not available. The best-basis inventory, therefore, is based on an engineering assessment of waste type, process flowsheet data, early sample data, and/or other available information. The Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes describes standard methodology used to derive the tank-by-tank best-basis inventories. This preliminary TCR will be updated using this same methodology when additional data on tank contents become available
Preliminary tank characterization report for single-shell tank 241-TY-102: best-basis inventory

International Nuclear Information System (INIS)

Place, D.E.

1997-01-01

This document is a preliminary Tank Characterization Report (TCR). It only contains the current best-basis inventory (Appendix D) for single-shell tank 241-TY-102. No TCRs have been previously issued for this tank, and current core sample analyses are not available. The best-basis inventory, therefore, is based on an engineering assessment of waste type, process flowsheet data, early sample data, and/or other available information. The Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes describes standard methodology used to derive the tank-by-tank best-basis inventories. This preliminary TCR will be updated using this same methodology when additional data on tank contents become available

Preliminary tank characterization report for single-shell tank 241-TX-113: best-basis inventory

International Nuclear Information System (INIS)

Place, D.E.

1997-01-01

This document is a preliminary Tank Characterization Report (TCR). It only contains the current best-basis inventory (Appendix D) for single-shell tank 241-TX-113. No TCRs have been previously issued for this tank, and current core sample analyses are not available. The best-basis inventory, therefore, is based on an engineering assessment of waste type, process flowsheet data, early sample data, and/or other available information. The Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes describes standard methodology used to derive the tank-by-tank best-basis inventories. This preliminary TCR will be updated using this same methodology when additional data on tank contents become available
Implementation of ISO 9000 Quality Standard into Adult Education

Directory of Open Access Journals (Sweden)

Andrej Sotošek

2000-12-01

Full Text Available Competition in the field of adult education in Slovenia has become very tough in the second half of the 1990s. Therefore, educational institutions are forced to use every advantage over the competitors in the educational market. One of them is the quality system in educational process. Such competitive position setting strategic development objectives is also the strategy of UPI - Ljudska univerza Žalec. Through development objectives, relationships with our partners and customers, as well as on the basis of analysis of the position and connections of Slovenia within the European Union and its involvement in international projects we estimated that we should set up a quality system in our institution involving managerial, organisational and professional function. It is important that the system should be comparable and verifiable according to the European standards. We have chosen the Quality System according to ISO 9000 quality standards as the most suitable model. It offers an institutional framework as well as a good basis for an internal and external verification of the efficiency of the system in real life. It also enables corrections to deviations. However, it lacks a stronger stress on internal self-control and self-evaluation, which is emphasised in the model of quality assurance in education developed by a group of experts to order of Ministry of Education and Sport. Both model s can be combined and are mutually compatible. I am convinced of the great importance of self-evaluation in education. Yet, without an appropriate institutional framework and basic external verification the self-evaluation remains on the interna! and subjective level of judgement within an individual educational institution.
Symmetry Adapted Basis Sets

DEFF Research Database (Denmark)

Avery, John Scales; Rettrup, Sten; Avery, James Emil

automatically with computer techniques. The method has a wide range of applicability, and can be used to solve difficult eigenvalue problems in a number of fields. The book is of special interest to quantum theorists, computer scientists, computational chemists and applied mathematicians....
Migration and the Wage-Settings Curve

DEFF Research Database (Denmark)

Brücker, Herbert; Jahn, Elke

Germany on basis of a wage-setting curve. The wage-setting curve relies on the assumption that wages respond to a hange in the unemployment rate, albeit imperfectly. This allows one to derive the wage and employment effects of migration simultaneously in a general equilibrium framework. Using...
Abstract sets and finite ordinals an introduction to the study of set theory

CERN Document Server

Keene, G B

2007-01-01

This text unites the logical and philosophical aspects of set theory in a manner intelligible both to mathematicians without training in formal logic and to logicians without a mathematical background. It combines an elementary level of treatment with the highest possible degree of logical rigor and precision.Starting with an explanation of all the basic logical terms and related operations, the text progresses through a stage-by-stage elaboration that proves the fundamental theorems of finite sets. It focuses on the Bernays theory of finite classes and finite sets, exploring the system's basi
The standardization debate: A conflation trap in critical care electroencephalography.

Science.gov (United States)

Ng, Marcus C; Gaspard, Nicolas; Cole, Andrew J; Hoch, Daniel B; Cash, Sydney S; Bianchi, Matt; O'Rourke, Deirdre A; Rosenthal, Eric S; Chu, Catherine J; Westover, M Brandon

2015-01-01

Persistent uncertainty over the clinical significance of various pathological continuous electroencephalography (cEEG) findings in the intensive care unit (ICU) has prompted efforts to standardize ICU cEEG terminology and an ensuing debate. We set out to understand the reasons for, and a satisfactory resolution to, this debate. We review the positions for and against standardization, and examine their deeper philosophical basis. We find that the positions for and against standardization are not fundamentally irreconcilable. Rather, both positions stem from conflating the three cardinal steps in the classic approach to EEG, which we term "description", "interpretation", and "prescription". Using real-world examples we show how this conflation yields muddled clinical reasoning and unproductive debate among electroencephalographers that is translated into confusion among treating clinicians. We propose a middle way that judiciously uses both standardized terminology and clinical reasoning to disentangle these critical steps and apply them in proper sequence. The systematic approach to ICU cEEG findings presented herein not only resolves the standardization debate but also clarifies clinical reasoning by helping electroencephalographers assign appropriate weights to cEEG findings in the face of uncertainty. Copyright © 2014 British Epilepsy Association. Published by Elsevier Ltd. All rights reserved.
Approach toward development of release standards for D and D cleanup

International Nuclear Information System (INIS)

Chen, S. Y.

1999-01-01

The release of materials containing residual radioactivity from a controlled environment in decontamination and decommissioning (D and D) activities has been problematic. The primary impediment to such a release is the lack of a suitable framework within which release standards can be developed. The concept of clearance for radioactive materials was recently introduced by the International Atomic Energy Agency (IAEA) (l). This concept is being evaluated by the international regulatory communities as a basis for setting standards for releasing from control solid materials containing residual radioactivity. Accordingly, both the IAEA (2) and the European Commission (EC) (3) have recently proposed clearance standards. In the US, the Nuclear Regulatory Commission (USNRC) has just begun its rule-making process on clearance. The term ''clearance'' was introduced as a regulatory process for releasing radioactive materials posing negligible risks. A trivial risk level has been determined to be a 10 -6 to 10 -7 annual risk to an exposed individual, and a population risk of no more than 0.1 for an annual practice. Under these strict constraints, exposure scenarios would be developed to estimate potential doses to affected individuals. Such scenarios may account for processing, disposal, and product end-use of materials. This paper discusses these scenarios and also describes the technical basis for deriving release levels under the suggested risk for dose constraints
Optimum detection for extracting maximum information from symmetric qubit sets

International Nuclear Information System (INIS)

Mizuno, Jun; Fujiwara, Mikio; Sasaki, Masahide; Akiba, Makoto; Kawanishi, Tetsuya; Barnett, Stephen M.

2002-01-01

We demonstrate a class of optimum detection strategies for extracting the maximum information from sets of equiprobable real symmetric qubit states of a single photon. These optimum strategies have been predicted by Sasaki et al. [Phys. Rev. A 59, 3325 (1999)]. The peculiar aspect is that the detections with at least three outputs suffice for optimum extraction of information regardless of the number of signal elements. The cases of ternary (or trine), quinary, and septenary polarization signals are studied where a standard von Neumann detection (a projection onto a binary orthogonal basis) fails to access the maximum information. Our experiments demonstrate that it is possible with present technologies to attain about 96% of the theoretical limit
Setting standards for planning off duty and audit of practice.

Science.gov (United States)

Walker, Linda; Minchin, Anne; Pickard, Jane

The off duty or rostering system is an important part of managing any ward or department. This article looks at the issues that need to be considered when drawing up and managing off duty. It recommends standards for off-duty planning and shares the results of an audit carried out against some of these standards in one NHS trust.
Symmetry-Adapted Ro-vibrational Basis Functions for Variational Nuclear Motion Calculations: TROVE Approach.

Science.gov (United States)

Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I

2017-09-12

We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.
A simple and efficient dispersion correction to the Hartree-Fock theory (2): Incorporation of a geometrical correction for the basis set superposition error.

Science.gov (United States)

Yoshida, Tatsusada; Hayashi, Takahisa; Mashima, Akira; Chuman, Hiroshi

2015-10-01

One of the most challenging problems in computer-aided drug discovery is the accurate prediction of the binding energy between a ligand and a protein. For accurate estimation of net binding energy ΔEbind in the framework of the Hartree-Fock (HF) theory, it is necessary to estimate two additional energy terms; the dispersion interaction energy (Edisp) and the basis set superposition error (BSSE). We previously reported a simple and efficient dispersion correction, Edisp, to the Hartree-Fock theory (HF-Dtq). In the present study, an approximation procedure for estimating BSSE proposed by Kruse and Grimme, a geometrical counterpoise correction (gCP), was incorporated into HF-Dtq (HF-Dtq-gCP). The relative weights of the Edisp (Dtq) and BSSE (gCP) terms were determined to reproduce ΔEbind calculated with CCSD(T)/CBS or /aug-cc-pVTZ (HF-Dtq-gCP (scaled)). The performance of HF-Dtq-gCP (scaled) was compared with that of B3LYP-D3(BJ)-bCP (dispersion corrected B3LYP with the Boys and Bernadi counterpoise correction (bCP)), by taking ΔEbind (CCSD(T)-bCP) of small non-covalent complexes as 'a golden standard'. As a critical test, HF-Dtq-gCP (scaled)/6-31G(d) and B3LYP-D3(BJ)-bCP/6-31G(d) were applied to the complex model for HIV-1 protease and its potent inhibitor, KNI-10033. The present results demonstrate that HF-Dtq-gCP (scaled) is a useful and powerful remedy for accurately and promptly predicting ΔEbind between a ligand and a protein, albeit it is a simple correction procedure. Copyright © 2015 Elsevier Ltd. All rights reserved.
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

International Nuclear Information System (INIS)

Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E

2012-01-01

Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.
Determining a Consistent Set of Accounting and Financial Reporting Standards : A Research Note Based on the IASB-FASB Conceptual Framework Revision Project

OpenAIRE

Le Manh-Béna, Anne; Ramond, Olivier,

2011-01-01

Following the debate on the Conceptual Framework revision undertaken by the IASB and the FASB, this paper discusses three major concerns about the way financial reporting standards should be determined: (1) What is the role a Conceptual Framework?; (2) For whom and for which needs are accounting and financial reporting standards made?; and (3) What information set should financial reporting provide? We show that the perceived need of a Framework has resulted in practice in weak usefulness We ...
Double bag or Y-set versus standard transfer systems for continuous ambulatory peritoneal dialysis in end-stage kidney disease.

Science.gov (United States)

Daly, Conal; Cody, June D; Khan, Izhar; Rabindranath, Kannaiyan S; Vale, Luke; Wallace, Sheila A

2014-08-13

Peritonitis is the most frequent serious complication of continuous ambulatory peritoneal dialysis (CAPD). It has a major influence on the number of patients switching from CAPD to haemodialysis and has probably restricted the wider acceptance and uptake of CAPD as an alternative mode of dialysis.This is an update of a review first published in 2000. This systematic review sought to determine if modifications of the transfer set (Y-set or double bag systems) used in CAPD exchanges are associated with a reduction in peritonitis and an improvement in other relevant outcomes. We searched the Cochrane Renal Group's Specialised Register through contact with the Trials Search Co-ordinator. Studies contained in the Specialised Register are identified through search strategies specifically designed for CENTRAL, MEDLINE and EMBASE. Date of last search: 22 October 2013. Randomised controlled trials (RCTs) or quasi-RCTs comparing double bag, Y-set and standard peritoneal dialysis (PD) exchange systems in patients with end-stage kidney disease. Data were abstracted by a single investigator onto a standard form and analysed by Review Manager. Analysis was by a random effects model and results were expressed as risk ratio (RR) or mean difference (MD) with 95% confidence intervals (CI). Twelve eligible trials with a total of 991 randomised patients were identified. Despite the large total number of patients, few trials covered the same interventions, small numbers of patients were enrolled in each trial and the methodological quality was suboptimal. Y-set and twin-bag systems were superior to conventional spike systems (7 trials, 485 patients, RR 0.64, 95% CI 0.53 to 0.77) in preventing peritonitis in PD. Disconnect systems should be the preferred exchange systems in CAPD.
Status of conversion of DOE standards to non-Government standards

Energy Technology Data Exchange (ETDEWEB)

Moseley, H.L.

1992-07-01

One major goal of the DOE Technical Standards Program is to convert existing DOE standards into non-Government standards (NGS's) where possible. This means that a DOE standard may form the basis for a standards-writing committee to produce a standard in the same subject area using the non-Government standards consensus process. This report is a summary of the activities that have evolved to effect conversion of DOE standards to NGSs, and the status of current conversion activities. In some cases, all requirements in a DOE standard will not be incorporated into the published non-Government standard because these requirements may be considered too restrictive or too specific for broader application by private industry. If requirements in a DOE standard are not incorporated in a non-Government standard and the requirements are considered necessary for DOE program applications, the DOE standard will be revised and issued as a supplement to the non-Government standard. The DOE standard will contain only those necessary requirements not reflected by the non-Government standard. Therefore, while complete conversion of DOE standards may not always be realized, the Department's technical standards policy as stated in Order 1300.2A has been fully supported in attempting to make maximum use of the non-Government standard.
Status of conversion of DOE standards to non-Government standards

Energy Technology Data Exchange (ETDEWEB)

Moseley, H.L.

1992-07-01

One major goal of the DOE Technical Standards Program is to convert existing DOE standards into non-Government standards (NGS`s) where possible. This means that a DOE standard may form the basis for a standards-writing committee to produce a standard in the same subject area using the non-Government standards consensus process. This report is a summary of the activities that have evolved to effect conversion of DOE standards to NGSs, and the status of current conversion activities. In some cases, all requirements in a DOE standard will not be incorporated into the published non-Government standard because these requirements may be considered too restrictive or too specific for broader application by private industry. If requirements in a DOE standard are not incorporated in a non-Government standard and the requirements are considered necessary for DOE program applications, the DOE standard will be revised and issued as a supplement to the non-Government standard. The DOE standard will contain only those necessary requirements not reflected by the non-Government standard. Therefore, while complete conversion of DOE standards may not always be realized, the Department`s technical standards policy as stated in Order 1300.2A has been fully supported in attempting to make maximum use of the non-Government standard.
Accelerated Best Basis Inventory Baselining Task

International Nuclear Information System (INIS)

SASAKI, L.M.

2001-01-01

The baselining effort was recently proposed to bring the Best-Basis Inventory (BBI) and Question No.8 of the Tank Interpretive Report (TIR) for all 177 tanks to the current standards and protocols and to prepare a TIR Question No.8 if one is not already available. This plan outlines the objectives and methodology of the accelerated BBI baselining task. BBI baselining meetings held during December 2000 resulted in a revised BBI methodology and an initial set of BBI creation rules to be used in the baselining effort. The objectives of the BBI baselining effort are to: (1) Provide inventories that are consistent with the revised BBI methodology and new BBI creation rules. (2) Split the total tank waste in each tank into six waste phases, as appropriate (Supernatant, saltcake solids, saltcake liquid, sludge solids, sludge liquid, and retained gas). In some tanks, the solids and liquid portions of the sludge and/or saltcake may be combined into a single sludge or saltcake phase. (3) Identify sampling events that are to be used for calculating the BBIs. (4) Update waste volumes for subsequent reconciliation with the Hanlon (2001) waste tank summary. (5) Implement new waste type templates. (6) Include any sample data that might have been unintentionally omitted in the previous BBI and remove any sample data that should not have been included. Sample data to be used in the BBI must be available on TWINS. (7) Ensure that an inventory value for each standard BBI analyte is provided for each waste component. Sample based inventories for supplemental BBI analytes will be included when available. (8) Provide new means and confidence interval reports if one is not already available and include uncertainties in reporting inventory values
Diffusion Forecasting Model with Basis Functions from QR-Decomposition

Science.gov (United States)

Harlim, John; Yang, Haizhao

2017-12-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.
Setting and validating the pass/fail score for the NBDHE.

Science.gov (United States)

Tsai, Tsung-Hsun; Dixon, Barbara Leatherman

2013-04-01

This report describes the overall process used for setting the pass/fail score for the National Board Dental Hygiene Examination (NBDHE). The Objective Standard Setting (OSS) method was used for setting the pass/fail score for the NBDHE. The OSS method requires a panel of experts to determine the criterion items and proportion of these items that minimally competent candidates would answer correctly, the percentage of mastery and the confidence level of the error band. A panel of 11 experts was selected by the Joint Commission on National Dental Examinations (Joint Commission). Panel members represented geographic distribution across the U.S. and had the following characteristics: full-time dental hygiene practitioners with experience in areas of preventive, periodontal, geriatric and special needs care, and full-time dental hygiene educators with experience in areas of scientific basis for dental hygiene practice, provision of clinical dental hygiene services and community health/research principles. Utilizing the expert panel's judgments, the pass/fail score was set and then the score scale was established using the Rasch measurement model. Statistical and psychometric analysis shows the actual failure rate and the OSS failure rate are reasonably consistent (2.4% vs. 2.8%). The analysis also showed the lowest error of measurement, an index of the precision at the pass/fail score point and that the highest reliability (0.97) are achieved at the pass/fail score point. The pass/fail score is a valid guide for making decisions about candidates for dental hygiene licensure. This new standard was reviewed and approved by the Joint Commission and was implemented beginning in 2011.
The development of the American National Standard 'control of radioactive surface contamination on materials equipment and facilities to be released for uncontrolled use'

International Nuclear Information System (INIS)

Shapiro, J.

1980-01-01

A new standard submitted by the Health Physics Society Standards Committee to the American National Standards Institute concerning radioactive surface contamination of materials and equipment is discussed. The chronological events in the development of this standard are given. The standard provides criteria for the release for uncontrolled use of materials, equipment and facilities contaminated or potentially contaminated with radioactivity. Permissible contamination limits are specified for: 1) long lived alpha emitters except natural uranium and thorium, 2) more hazardous beta-gamma emitters, 3) less hazardous beta-gamma emitters and 4) natural uranium and thorium. A contamination reference level of 1000 dpm/100 cm 2 for 90 Sr was set as the basis for assigning limits to radionuclides presenting an ingestion hazard and other radionuclides were grouped based on the values of their maximum permissible concentration (MPC) in water relative to 90 Sr. The contamination limit for 239 Pu was chosen as the basis for assigning limits based on MPC in air to radionuclides presenting an inhalation hazard; a value of 100 dpm/100 cm 2 was adopted in the standard. An upper limit of 5000 dpm/100 cm 2 for surface contamination was selected for the standard. (UK)

International spinal cord injury pulmonary function basic data set.

Science.gov (United States)

Biering-Sørensen, F; Krassioukov, A; Alexander, M S; Donovan, W; Karlsson, A-K; Mueller, G; Perkash, I; Sheel, A William; Wecht, J; Schilero, G J

2012-06-01

To develop the International Spinal Cord Injury (SCI) Pulmonary Function Basic Data Set within the framework of the International SCI Data Sets in order to facilitate consistent collection and reporting of basic bronchopulmonary findings in the SCI population. International. The SCI Pulmonary Function Data Set was developed by an international working group. The initial data set document was revised on the basis of suggestions from members of the Executive Committee of the International SCI Standards and Data Sets, the International Spinal Cord Society (ISCoS) Executive and Scientific Committees, American Spinal Injury Association (ASIA) Board, other interested organizations and societies and individual reviewers. In addition, the data set was posted for 2 months on ISCoS and ASIA websites for comments. The final International SCI Pulmonary Function Data Set contains questions on the pulmonary conditions diagnosed before spinal cord lesion,if available, to be obtained only once; smoking history; pulmonary complications and conditions after the spinal cord lesion, which may be collected at any time. These data include information on pneumonia, asthma, chronic obstructive pulmonary disease and sleep apnea. Current utilization of ventilator assistance including mechanical ventilation, diaphragmatic pacing, phrenic nerve stimulation and Bi-level positive airway pressure can be reported, as well as results from pulmonary function testing includes: forced vital capacity, forced expiratory volume in one second and peak expiratory flow. The complete instructions for data collection and the data sheet itself are freely available on the website of ISCoS (http://www.iscos.org.uk).
Using the Many-Faceted Rasch Model to Evaluate Standard Setting Judgments: An Illustration with the Advanced Placement Environmental Science Exam

Science.gov (United States)

Kaliski, Pamela K.; Wind, Stefanie A.; Engelhard, George, Jr.; Morgan, Deanna L.; Plake, Barbara S.; Reshetar, Rosemary A.

2013-01-01

The many-faceted Rasch (MFR) model has been used to evaluate the quality of ratings on constructed response assessments; however, it can also be used to evaluate the quality of judgments from panel-based standard setting procedures. The current study illustrates the use of the MFR model for examining the quality of ratings obtained from a standard…
Standard Setting for Next Generation TOEFL Academic Speaking Test (TAST): Reflections on the ETS Panel of International Teaching Assistant Developers

Science.gov (United States)

Papajohn, Dean

2006-01-01

While many institutions have utilized TOEFL scores for international admissions for many years, a speaking section has never before been a required part of TOEFL until the development of the iBT/Next Generation TOEFL. So institutions will need to determine how to set standards for the speaking section of TOEFL, also known as TOEFL Academic…
The Emotional and Moral Basis of Rationality

Science.gov (United States)

Boostrom, Robert

2013-01-01

This chapter explores the basis of rationality, arguing that critical thinking tends to be taught in schools as a set of skills because of the failure to recognize that choosing to think critically depends on the prior development of stable sentiments or moral habits that nourish a rational self. Primary among these stable sentiments are the…
Solar set asides and renewable electricity certificates: Early lessons from North Carolina's experience with its renewable portfolio standard

International Nuclear Information System (INIS)

Gaul, Chip; Carley, Sanya

2012-01-01

This paper assesses the market developments in North Carolina's solar energy industry following the state's adoption of a renewable portfolio standard (RPS). It first reviews how solar renewable electricity certificates (SRECs) are intended to act as a support mechanism for the installation and financing of solar power in North Carolina's RPS compliance market. The paper then analyzes why SRECs have not precipitated growth in the solar industry thus far. Instead of attracting a diversity of solar installation and SREC trading businesses to create a competitive market to North Carolina, the RPS has only enabled a few large solar power producers to compete with utility companies to finance, install, and operate solar generating systems. A comparison between the SREC markets in North Carolina, Pennsylvania, and New Jersey reveals that transparency in prices and volumes of SRECs, limits on utility company self-ownership of solar generators, and more aggressive solar set-aside targets are required to create a competitive market environment that will attract a sustainable and growing solar industry. - Highlights: ► Assesses developments in NC's solar industry from renewable portfolio standard. ► Comparisons between the SREC markets in North Carolina, Pennsylvania, New Jersey. ► Transparency in prices and limits on utility self-ownership are necessary. ► More aggressive solar set-aside targets would also help develop the solar market.
Why quasi-sets?

Directory of Open Access Journals (Sweden)

Décio Krause

2002-11-01

Full Text Available Quasi-set theory was developed to deal with collections of indistinguishable objects. In standard mathematics, there are no such kind of entities, for indistinguishability (agreement with respect to all properties entails numerical identity. The main motivation underlying such a theory is of course quantum physics, for collections of indistinguishable (’identical’ in the physicists’ jargon particles cannot be regarded as ’sets’ of standard set theories, which are collections of distinguishable objects. In this paper, a rationale for the development of such a theory is presented, motivated by Heinz Post’s claim that indistinguishability ofquantum entities should be attributed ’right at the start’.
A Gold Standards Approach to Training Instructors to Evaluate Crew Performance

Science.gov (United States)

Baker, David P.; Dismukes, R. Key

2003-01-01

The Advanced Qualification Program requires that airlines evaluate crew performance in Line Oriented Simulation. For this evaluation to be meaningful, instructors must observe relevant crew behaviors and evaluate those behaviors consistently and accurately against standards established by the airline. The airline industry has largely settled on an approach in which instructors evaluate crew performance on a series of event sets, using standardized grade sheets on which behaviors specific to event set are listed. Typically, new instructors are given a class in which they learn to use the grade sheets and practice evaluating crew performance observed on videotapes. These classes emphasize reliability, providing detailed instruction and practice in scoring so that all instructors within a given class will give similar scores to similar performance. This approach has value but also has important limitations; (1) ratings within one class of new instructors may differ from those of other classes; (2) ratings may not be driven primarily by the specific behaviors on which the company wanted the crews to be scored; and (3) ratings may not be calibrated to company standards for level of performance skill required. In this paper we provide a method to extend the existing method of training instructors to address these three limitations. We call this method the "gold standards" approach because it uses ratings from the company's most experienced instructors as the basis for training rater accuracy. This approach ties the training to the specific behaviors on which the experienced instructors based their ratings.
General formulation of standard model the standard model is in need of new concepts

International Nuclear Information System (INIS)

Khodjaev, L.Sh.

2001-01-01

The phenomenological basis for formulation of the Standard Model has been reviewed. The Standard Model based on the fundamental postulates has been formulated. The concept of the fundamental symmetries has been introduced: To look for not fundamental particles but fundamental symmetries. By searching of more general theory it is natural to search first of all global symmetries and than to learn consequence connected with the localisation of this global symmetries like wise of the standard Model
Scoring and setting pass/fail standards for an essay certification examination in nurse-midwifery.

Science.gov (United States)

Fullerton, J T; Greener, D L; Gross, L J

1992-03-01

Examination for certification or licensure of health professionals (credentialing) in the United States is almost exclusively of the multiple choice format. The certification examination for entry into the practice of the profession of nurse-midwifery has, however, used a modified essay format throughout its twenty-year history. The examination has recently undergone a revision in the method for score interpretation and for pass/fail decision-making. The revised method, described in this paper, has important implications for all health professional credentialing agencies which use modified essay, oral or practical methods of competency assessment. This paper describes criterion-referenced scoring, the process of constructing the essay items, the methods for assuring validity and reliability for the examination, and the manner of standard setting. In addition, two alternative methods for increasing the validity of the pass/fail decision are evaluated, and the rationale for decision-making about marginal candidates is described.
Data Requirements and the Basis for Designing Health Information Kiosks.

Science.gov (United States)

Afzali, Mina; Ahmadi, Maryam; Mahmoudvand, Zahra

2017-09-01

Health kiosks are an innovative and cost-effective solution that organizations can easily implement to help educate people. To determine the data requirements and basis for designing health information kiosks as a new technology to maintain the health of society. By reviewing the literature, a list of information requirements was provided in 4 sections (demographic information, general information, diagnostic information and medical history), and questions related to the objectives, data elements, stakeholders, requirements, infrastructures and the applications of health information kiosks were provided. In order to determine the content validity of the designed set, the opinions of 2 physicians and 2 specialists in medical informatics were obtained. The test-retest method was used to measure its reliability. Data were analyzed using SPSS software. In the proposed model for Iran, 170 data elements in 6 sections were presented for experts' opinion, which ultimately, on 106 elements, a collective agreement was reached. To provide a model of health information kiosk, creating a standard data set is a critical point. According to a survey conducted on the various literature review studies related to the health information kiosk, the most important components of a health information kiosk include six categories; information needs, data elements, applications, stakeholders, requirements and infrastructure of health information kiosks that need to be considered when designing a health information kiosk.
Cost-effectiveness of omalizumab add-on to standard-of-care therapy in patients with uncontrolled severe allergic asthma in a Brazilian healthcare setting.

Science.gov (United States)

Suzuki, Cibele; Lopes da Silva, Nilceia; Kumar, Praveen; Pathak, Purnima; Ong, Siew Hwa

2017-08-01

Omalizumab add-on to standard-of-care therapy has proven to be efficacious in severe asthma patients for whom exacerbations cannot be controlled otherwise. Moreover, evidence from different healthcare settings suggests reduced healthcare resource utilization with omalizumab. Based on these findings, this study aimed to assess the cost-effectiveness of the addition of omalizumab to standard-of-care therapy in patients with uncontrolled severe allergic asthma in a Brazilian healthcare setting. A previously published Markov model was adapted using Brazil-specific unit costs to compare the costs and outcomes of the addition of omalizumab to standard-of-care therapy vs standard-of-care therapy alone. Model inputs were largely based on the eXpeRience study. Costs and health outcomes were calculated for lifetime-years and were annually discounted at 5%. Both one-way and probabilistic sensitivity analyses were performed. An additional cost of R$280,400 for 5.20 additional quality-adjusted life-years was estimated with the addition of omalizumab to standard-of-care therapy, resulting in an incremental cost-effectiveness ratio of R$53,890. One-way sensitivity analysis indicated that discount rates, standard-of-care therapy exacerbation rates, and exacerbation-related mortality rates had the largest impact on incremental cost-effectiveness ratios. Assumptions of lifetime treatment adherence and rate of future exacerbations, independent of previous events, might affect the findings. The lack of Brazilian patients in the eXpeRience study may affect the findings, although sample size and baseline characteristics suggest that the modeled population closely resembles Brazilian severe allergic asthma patients. Results indicate that omalizumab as an add-on therapy is more cost-effective than standard-of-care therapy alone for Brazilian patients with uncontrolled severe allergic asthma, based on the World Health Organization's cost-effectiveness threshold of up to 3-times the gross
The Flaws of Fragmented Financial Standard Setting

DEFF Research Database (Denmark)

Mügge, Daniel; Perry, James

2014-01-01

rating, accounting, and derivatives trading, this article demonstrates why the appropriateness of the organizational architecture of global financial governance is necessarily contingent upon one’s understanding of how financial markets work. In particular, if financial markets are not anchored......In the half decade following the 2007 financial crisis, the reform of global financial governance was driven by two separate policy debates: one on the substantive content of regulations, the other on the organizational architecture of their governance. The separation of the two debates among...... policymakers has been mirrored in academia, where postcrisis analyses of financial governance have remained detached from reinvigorated discussions about the nature of financial markets. We argue that this separation is deeply flawed. Presenting an analysis of interactions between standards for banking, credit...
EPR-technical codes - a common basis for the EPR

International Nuclear Information System (INIS)

Zaiss, W.; Appell, B.

1997-01-01

The design and construction of Nuclear Power Plants implies a full set of codes and standards to define the construction rules of components and equipment. Rules are existing and are currently implemented, respectively in France and Germany (mainly RCCs and KTA safety standards). In the frame of the EPR-project, the common objective requires an essential industrial work programme between engineers from both countries to elaborate a common set of codes and regulations. These new industrial rules are called the ETCs (EPR Technical Codes). In the hierarchy the ETCs are - in case of France - on the common level of basic safety rules (RFS), design and construction rules (RCC) and - in Germany - belonging to RSK guidelines and KTA safety standards. A set of six ETCs will be elaborated to cover: safety and process, mechanical components, electrical equipment, instrumentation and control, civil works, fire protection. (orig.)
Reducing the number of options on multiple-choice questions: response time, psychometrics and standard setting.

Science.gov (United States)

Schneid, Stephen D; Armour, Chris; Park, Yoon Soo; Yudkowsky, Rachel; Bordage, Georges

2014-10-01

Despite significant evidence supporting the use of three-option multiple-choice questions (MCQs), these are rarely used in written examinations for health professions students. The purpose of this study was to examine the effects of reducing four- and five-option MCQs to three-option MCQs on response times, psychometric characteristics, and absolute standard setting judgements in a pharmacology examination administered to health professions students. We administered two versions of a computerised examination containing 98 MCQs to 38 Year 2 medical students and 39 Year 3 pharmacy students. Four- and five-option MCQs were converted into three-option MCQs to create two versions of the examination. Differences in response time, item difficulty and discrimination, and reliability were evaluated. Medical and pharmacy faculty judges provided three-level Angoff (TLA) ratings for all MCQs for both versions of the examination to allow the assessment of differences in cut scores. Students answered three-option MCQs an average of 5 seconds faster than they answered four- and five-option MCQs (36 seconds versus 41 seconds; p = 0.008). There were no significant differences in item difficulty and discrimination, or test reliability. Overall, the cut scores generated for three-option MCQs using the TLA ratings were 8 percentage points higher (p = 0.04). The use of three-option MCQs in a health professions examination resulted in a time saving equivalent to the completion of 16% more MCQs per 1-hour testing period, which may increase content validity and test score reliability, and minimise construct under-representation. The higher cut scores may result in higher failure rates if an absolute standard setting method, such as the TLA method, is used. The results from this study provide a cautious indication to health professions educators that using three-option MCQs does not threaten validity and may strengthen it by allowing additional MCQs to be tested in a fixed amount
Political and Economic Theory of Standards.

OpenAIRE

Vandemoortele, Thijs

2011-01-01

Standards are increasingly important in the global market system. Consumers rely progressively more on public standards (set by governments) as well as private standards (set by firms) to make their consumption decisions. Similarly producers rely heavily on standards to gear their production systems to one another and to increase transparency and traceability throughout the supply chain. Standards address a large variety of issues in consumption and production such as nutritional (e.g. low fa...
ASPECTS REGARDING THE SETTING OF TIME STANDARDS FOR THE PRODUCTION AND SEWING OPERATIONS

Directory of Open Access Journals (Sweden)

SECAN Cristina

2014-05-01

Full Text Available This paper presents the technological process of manufacture of a shoe for women in IL system in order to establish the time and the production norm in the processing-sewing procedure. The sequence of operations is presented in a case study that analyzed how can be obtained the upper assembly of a footwear product that later becomes integral part into the finished product. Drawing up the technological process is done considering both the manual operations and the manual-mechanical operations for processing and assembling the parts that make the whole upper assembly by gluing the parts, by seaming and securing the joints. The type of equipment chosen to carry out operations is influencing through its productivity the necessary material calculated and hence the labour force required. The amount of time consists of time needed for preparation-finishing time, operative time, time of working place service and time of regulated interruptions. These periods of times were determined basically by timing assistance of the manufacturing process throughout its development. Production norm is calculated on the basis of the standard time, taking into account that it represents the amount of products manufactured in a work shift In order to improve the process by reducing the time of production and the number of workers engaged we are considering the automation of the manufacturing process by using modern methods using laser cutting or cutting under running water, automatic sewing machines, strip conveyor belts with pace imposed etc.
A projection-free method for representing plane-wave DFT results in an atom-centered basis

International Nuclear Information System (INIS)

Dunnington, Benjamin D.; Schmidt, J. R.

2015-01-01

Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strict orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches
It's time to set some standards: Environmental classification of freshwater wetlands in New Zealand and their protection from eutrophication

DEFF Research Database (Denmark)

Sorrell, Brian Keith; Clarkson, Beverly

Most natural resource plans provide protection for lakes and rivers from catchment activities leading to eutrophication. However, they are often silent about wetlands, due to the lack of information available for setting standards, defining reference conditions, and predicting responses to nutrient...... states in New Zealand wetlands, present an environmental classification based on physico-chemical and nutrient data, compare wetlands in New Zealand with those in other temperate regions, and argue for some catchment land use standards to protect wetlands from nutrient enrichment. Our database reveals...... that New Zealand wetlands, like those in other temperate climates, are defined by specific alkalinity and nutrient gradients and that there is a wide range of fertility levels. Using regression tree analysis, we have identified environmental groups of wetlands with significantly distinct nutrient regimes...
Using a pruned, nondirect product basis in conjunction with the multi-configuration time-dependent Hartree (MCTDH) method

Energy Technology Data Exchange (ETDEWEB)

Wodraszka, Robert, E-mail: Robert.Wodraszka@chem.queensu.ca; Carrington, Tucker, E-mail: Tucker.Carrington@queensu.ca [Department of Chemistry, Queen’s University, Kingston, Ontario K7L 3N6 (Canada)

2016-07-28

In this paper, we propose a pruned, nondirect product multi-configuration time dependent Hartree (MCTDH) method for solving the Schrödinger equation. MCTDH uses optimized 1D basis functions, called single particle functions, but the size of the standard direct product MCTDH basis scales exponentially with D, the number of coordinates. We compare the pruned approach to standard MCTDH calculations for basis sizes small enough that the latter are possible and demonstrate that pruning the basis reduces the CPU cost of computing vibrational energy levels of acetonitrile (D = 12) by more than two orders of magnitude. Using the pruned method, it is possible to do calculations with larger bases, for which the cost of standard MCTDH calculations is prohibitive. Pruning the basis complicates the evaluation of matrix-vector products. In this paper, they are done term by term for a sum-of-products Hamiltonian. When no attempt is made to exploit the fact that matrices representing some of the factors of a term are identity matrices, one needs only to carefully constrain indices. In this paper, we develop new ideas that make it possible to further reduce the CPU time by exploiting identity matrices.
Gaussian basis functions for highly oscillatory scattering wavefunctions

Science.gov (United States)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

Radioactivity standards for drinking water

International Nuclear Information System (INIS)

Sastry, V.N.; Mahadevan, T.N.; Nair, R.N.; Krishnamoorthy, T.M.; Nambi, K.S.V.

1995-01-01

The Bureau of Indian Standards (BIS) had issued drinking water specifications for radioactivity in 1991 as 0.1 Bq/L for gross α and 1 pCi/L for gross β. The specification for gross β should have been 1 Bq/L, however the basis for arriving at these standards were not clearly stated. The radiological basis for fixing the Drinking Water Standards (DWS) has, therefore, been reviewed in the present work. The values derived now for gross α (0.01 Bq/L) and gross β (0.34 Bq/L) are different from the values given above. In addition, the DWS for some important radionuclides using the ingestion dose factors applicable to members of the general public (adult as well as children) are given here. It is hoped that the presently suggested values will be accepted by the Atomic Energy Regulatory Board and adopted by the BIS in the near future. (author). 14 refs., 2 tabs., 2 ills
Competence prized: program sets standards and maps out oilfield career paths for the first time

International Nuclear Information System (INIS)

Taylor, R.

2000-01-01

An ambitious program to address the problems of underqualified staff and staff shortages in the oil and gas industry was initiated in 1995 by the Petroleum Services Association of Canada. The intent of the program - the Petroleum Services Competency Program - was to create a labour force recognized as competent at what it does and to demonstrate to young people considering future careers that employment in the petroleum services sector could offer a rewarding career. The key strength of the PSCP is that assessment of an individual is on the job; competency assessment measures performance under working conditions with the reality, constraints, and pressures of the working environment. The program is modelled after the British National Vocational Qualification (NVQ) system. The certification database is maintained by the Petroleum Industry Training Service (PITS) which also issues the certification to successful graduates. PITS also provides training for assessors, although training for assessors is also provided by other training vendors. Auditors will monitor both assessor proficiency and equity of assessment between companies. To date certification standards for 28 occupations have been completed in the areas of pumping, wireline, trucking, well testing and well site supervision. In all cases competency standards are upgraded on a continuous basis to keep pace with advancing technology. Participation in the program is voluntary, and a certificate is not required for someone to work in the occupation. Nevertheless, official certification is the eventual goal. There is minimal government intervention. The program is strictly performance-based with no seniority or timeline used to determine worker competence; wages are not regulated or recommended through this program. The program is supported by a large number of oil companies, but like any change, it will take time to have a clear understanding of how the program benefits the entire oil and natural gas industry
7 CFR 225.17 - Procurement standards.

Science.gov (United States)

2010-01-01

...) Procurements by public sponsors comply with applicable State or local laws and the standards set forth in 7 CFR part 3016; and (2) Procurements by private nonprofit sponsors comply with standards set forth in 7 CFR... 7 Agriculture 4 2010-01-01 2010-01-01 false Procurement standards. 225.17 Section 225.17...
Discussion on enterprise technical standard management work

International Nuclear Information System (INIS)

Li Xinyou

2010-01-01

The technical standard management is an important part of enterprise information work, also the basis of enterprise standardization work. Only by rational and orderly management, can it exert maximum effectiveness, provide reliable support for the production and business of enterprise. (author)
Biochemical reconstitution and phylogenetic comparison of human SET1 family core complexes involved in histone methylation.

Science.gov (United States)

Shinsky, Stephen A; Monteith, Kelsey E; Viggiano, Susan; Cosgrove, Michael S

2015-03-06

Mixed lineage leukemia protein-1 (MLL1) is a member of the SET1 family of histone H3 lysine 4 (H3K4) methyltransferases that are required for metazoan development. MLL1 is the best characterized human SET1 family member, which includes MLL1-4 and SETd1A/B. MLL1 assembles with WDR5, RBBP5, ASH2L, DPY-30 (WRAD) to form the MLL1 core complex, which is required for H3K4 dimethylation and transcriptional activation. Because all SET1 family proteins interact with WRAD in vivo, it is hypothesized they are regulated by similar mechanisms. However, recent evidence suggests differences among family members that may reflect unique regulatory inputs in the cell. Missing is an understanding of the intrinsic enzymatic activities of different SET1 family complexes under standard conditions. In this investigation, we reconstituted each human SET1 family core complex and compared subunit assembly and enzymatic activities. We found that in the absence of WRAD, all but one SET domain catalyzes at least weak H3K4 monomethylation. In the presence of WRAD, all SET1 family members showed stimulated monomethyltransferase activity but differed in their di- and trimethylation activities. We found that these differences are correlated with evolutionary lineage, suggesting these enzyme complexes have evolved to accomplish unique tasks within metazoan genomes. To understand the structural basis for these differences, we employed a "phylogenetic scanning mutagenesis" assay and identified a cluster of amino acid substitutions that confer a WRAD-dependent gain-of-function dimethylation activity on complexes assembled with the MLL3 or Drosophila trithorax proteins. These results form the basis for understanding how WRAD differentially regulates SET1 family complexes in vivo. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.
Selection of design basis event for modular high temperature gas-cooled reactor

International Nuclear Information System (INIS)

Sato, Hiroyuki; Nakagawa, Shigeaki; Ohashi, Hirofumi

2016-06-01

Japan Atomic Energy Agency (JAEA) has been investigating safety requirements and basic approach of safety guidelines for modular High Temperature Gas-cooled Reactor (HTGR) aiming to increase internarial contribution for nuclear safety by developing an international HTGR safety standard under International Atomic Energy Agency. In this study, we investigate a deterministic approach to select design basis events utilizing information obtained from probabilistic approach. In addition, selections of design basis events are conducted for commercial HTGR designed by JAEA. As a result, an approach for selecting design basis event considering multiple failures of safety systems is established which has not been considered as design basis in the safety guideline for existing nuclear facility. Furthermore, selection of design basis events for commercial HTGR has completed. This report provides an approach and procedure for selecting design basis events of modular HTGR as well as selected events for the commercial HTGR, GTHTR300. (author)
Nuclear security standard: Argentina approach

International Nuclear Information System (INIS)

Bonet Duran, Stella M.; Rodriguez, Carlos E.; Menossi, Sergio A.; Serdeiro, Nelida H.

2007-01-01

Argentina has a comprehensive regulatory system designed to assure the security and safety of radioactive sources, which has been in place for more than fifty years. In 1989 the Radiation Protection and Nuclear Safety branch of the National Atomic Energy Commission created the 'Council of Physical Protection of Nuclear Materials and Installations' (CAPFMIN). This Council published in 1992 a Physical Protection Standard based on a deep and careful analysis of INFCIRC 225/Rev.2 including topics like 'sabotage scenario'. Since then, the world's scenario has changed, and some concepts like 'design basis threat', 'detection, delay and response', 'performance approach and prescriptive approach', have been applied to the design of physical protection systems in facilities other than nuclear installations. In Argentina, radioactive sources are widely used in medical and industrial applications with more than 1,600 facilities controlled by the Nuclear Regulatory Authority (in spanish ARN). During 2005, measures like 'access control', 'timely detection of intruder', 'background checks', and 'security plan', were required by ARN for implementation in facilities with radioactive sources. To 'close the cycle' the next step is to produce a regulatory standard based on the operational experience acquired during 2005. ARN has developed a set of criteria for including them in a new standard on security of radioactive materials. Besides, a specific Regulatory Guide is being prepared to help licensees of facilities in design a security system and to fulfill the 'Design of Security System Questionnaire'. The present paper describes the proposed Standard on Security of Radioactive Sources and the draft of the Nuclear Security Regulatory Guidance, based on our regulatory experience and the latest international recommendations. (author)
Discussion about design basis flood of site of research reactors by river

International Nuclear Information System (INIS)

Rong Feng; Zhao Jianjun; Du Qiaomin; Zhang Lingyan

2006-01-01

This paper presents the well-defined standard in relation to design the basis flood of the sites of research reactors by river. It is based on the concept of some relational standards, analysis of hydrological calculation technology and methods, and analysis of accident dangerous degrees of research reactor, as well as in combination with the engineering practices. The flood preventing standard for research reactors with higher power should be the same with that of the nuclear power plants. (authors)
Pneumatic transport devices based on the ARS equipment set for activation analysis

International Nuclear Information System (INIS)

Ivanov, I.V.; Ivanets, V.N.; Rogachev, V.M.; Zakharov, E.A.

1978-01-01

The AGIDEL and ARS-28G facilities manufactured on the basis of a set of standardized and aggregated products for activation analysis are described. The AGIDEL is designed for automatic activation analysis of relatively homogeneous samples from oil boreholes. The ARS-28G is designed for transporting the test samples during activation analysis, using a fast-neutron generator. Structurally, the ARS-28 is based on a pneumatic transportation system with two independenhat transport cnnels and a two-channel rotating irradiation unit. The analyzed samples are transported in polyethylene containers, which are moved by compressed air. The facility has been successfully tested and is used in an automated system for multielement activation analysis
Consistency endangered by FASB-GASB (Financial Accounting Standards Board, Government Accounting Standards Board ) dispute.

Science.gov (United States)

Garner, M; Grossman, W

1991-02-01

The Financial Accounting Foundation's (FAF's) November 1989 decision to uphold the 1984 jurisdictional arrangement between the Financial Accounting Standards Board (FASB) and the Government Accounting Standards Board (GASB) leaves little doubt that the healthcare industry will now be subject to two sets of accounting standards. The FAF's decision created a distinction between the accounting practices of government-owned hospitals and non-hospital governmental entities and their adherence to standards set by FASB, GASB, and the American Institute of Certified Public Accountants. A governmental healthcare organization should carefully determine which accounting rules it follows and remain attentive to further GASB developments.
Educational texts as empirical basis in qualitative research in Physical Education

DEFF Research Database (Denmark)

Svendsen, Annemari Munk

This presentation will focus attention on educational texts as empirical basis in qualitative research in Physical Education (PE). Educational texts may be defined as all kinds of texts used in a pedagogical setting, including textbooks, popular articles, webpages and political reports (Selander......). This makes them fundamental sites for illuminating what counts as knowledge in an educational setting (Selander & Skjeldbred, 2004). This presentation will introduce a qualitative research study obtained with discourse analysis of educational texts in Physical Education Teacher Education (PETE) in Denmark...... (Svendsen & Svendsen, 2014). It will present the theoretical and methodological considerations that are tied to the analysis of educational texts and discuss the qualities and challenges related to educational texts as empirical basis in qualitative research in PE. References: Apple, M. W. & Christian...
Trust, but Verify: Standard Setting That Honors and Validates Professional Teacher Judgment. Subtitle: A Tenuous Titanic Tale of Testy Testing and Titillating Touchstones (A Screen Play with an Unknown Number of Acts).

Science.gov (United States)

Matter, M. Kevin

The Cherry Creek School district (Englewood, Colorado) is a growing district of 37,000 students in the Denver area. The 1988 Colorado State School Finance Act required district-set proficiencies (standards), and forced agreement on a set of values for student knowledge and skills. State-adopted standards added additional requirements for the…
Nanostructured and nanolayer coatings based on nitrides of the metals structure study and structure and composition standard samples set development

Directory of Open Access Journals (Sweden)

E. B. Chabina

2014-01-01

Full Text Available Researches by methods of analytical microscopy and the x-ray analysis have allowed to develop a set of standard samples of composition and structure of the strengthening nanostructured and nanolayer coatings for control of the strengthening nanostructured and nanolayer coatings based on nitrides of the metals used to protect critical parts of the compressor of the gas turbine engine from dust erosion, corrosion and oxidation.
Draft Geologic Disposal Requirements Basis for STAD Specification

Energy Technology Data Exchange (ETDEWEB)

Ilgen, Anastasia G. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bryan, Charles R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hardin, Ernest [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-03-25

This document provides the basis for requirements in the current version of Performance Specification for Standardized Transportation, Aging, and Disposal Canister Systems, (FCRD-NFST-2014-0000579) that are driven by storage and geologic disposal considerations. Performance requirements for the Standardized Transportation, Aging, and Disposal (STAD) canister are given in Section 3.1 of that report. Here, the requirements are reviewed and the rationale for each provided. Note that, while FCRD-NFST-2014-0000579 provides performance specifications for other components of the STAD storage system (e.g. storage overpack, transfer and transportation casks, and others), these have no impact on the canister performance during disposal, and are not discussed here.
Basis for Interim Operation for the K-Reactor in Cold Standby

Energy Technology Data Exchange (ETDEWEB)

Shedrow, B.

1998-10-19

The Basis for Interim Operation (BIO) document for K Reactor in Cold Standby and the L- and P-Reactor Disassembly Basins was prepared in accordance with the draft DOE standard for BIO preparation (dated October 26, 1993).
Basis for Interim Operation for the K-Reactor in Cold Standby

International Nuclear Information System (INIS)

Shedrow, B.

1998-01-01

The Basis for Interim Operation (BIO) document for K Reactor in Cold Standby and the L- and P-Reactor Disassembly Basins was prepared in accordance with the draft DOE standard for BIO preparation (dated October 26, 1993)
Quality of semantic standards

NARCIS (Netherlands)

Folmer, Erwin Johan Albert

2012-01-01

Little scientific literature addresses the issue of quality of semantic standards, albeit a problem with high economic and social impact. Our problem survey, including 34 semantic Standard Setting Organizations (SSOs), gives evidence that quality of standards can be improved, but for improvement a
International standards and agreements in food irradiation

International Nuclear Information System (INIS)

Cetinkaya, N.

2004-01-01

The economies of both developed and developing countries have been effected by their exported food and agricultural products. Trading policies of food and agricultural products are governed by international agreement as well as national regulations. Trade in food and agricultural commodities may be affected by both principal Agreements within the overall World Trade Organization (WTO) Agreement, though neither specifically refers to irradiation or irradiated foods. The principal Agreements are the Technical Barriers to Trade (TBT) Agreement and the Sanitary and Phyto sanitary (SPS) Agreement. The SPS of the WTO requires governments to harmonize their sanitary and phyto sanitary measures on as wide basis as possible. Related standards, guidelines and recommendations of international standard setting bodies such as the Codex Alimentarius Commission (food safety); the International Plant Protection Convention (IPPC) (plant health and quarantine); and International Office of Epizootic (animal health and zoo noses) should be used in such a harmonization. International Standards for Phyto sanitary Measures (ISPM) no.18 was published under the IPPC by FAO (April 2003, Rome-Italy). ISPM standard provides technical guidance on the specific procedure for the application of ionizing radiation as a phyto sanitary treatment for regulated pests or articles. Moreover, Codex Alimentarius Commission, Codex General Standard for Irradiated Foods (Stand 106-1983) and Recommended International Code of Practice were first published in 1983 and revised in March 2003. Scope of this standard applies to foods processed by ionizing radiation that is used in conjunction with applicable hygienic codes, food standards and transportation codes. It does not apply to foods exposed to doses imparted by measuring instruments used for inspection purposes. Codex documents on Principles and Guidelines for the Import/Export Inspection and Certification of Foods have been prepared to guide international
Low-cost matched sibling bone marrow transplant for standard-risk thalassemia in a limited-resource setting

Directory of Open Access Journals (Sweden)

Stalin Ramprakash

2017-12-01

Full Text Available Thalassemias are the most common inherited genetic disorder in India and a major public health burden with bone marrow transplant (BMT considered the only established curative therapy. We describe outcomes for patients (n = 71 with standard-risk thalassemia (liver size 80 at the last follow up. 5 patients (7% died, mortality related to transplant. Enough data existed for 2 centers in India (36/71 transplants to analyze overall costs from admission up to one-year post-BMT which revealed a median cost of Rs 7,30,445 ($11519 [Range Rs 4,52,821–10,32,842 ($ 7079–16147]. In conclusion, children with thalassemia in resource limited settings can achieve good outcomes with BMT at a reasonable cost.
Standardization of a geo-referenced fishing data set for the Indian Ocean bigeye tuna, Thunnus obesus (1952-2014)

Science.gov (United States)

Wibawa, Teja A.; Lehodey, Patrick; Senina, Inna

2017-02-01

Geo-referenced catch and fishing effort data of the bigeye tuna fisheries in the Indian Ocean over 1952-2014 were analyzed and standardized to facilitate population dynamics modeling studies. During this 62-year historical period of exploitation, many changes occurred both in the fishing techniques and the monitoring of activity. This study includes a series of processing steps used for standardization of spatial resolution, conversion and standardization of catch and effort units, raising of geo-referenced catch into nominal catch level, screening and correction of outliers, and detection of major catchability changes over long time series of fishing data, i.e., the Japanese longline fleet operating in the tropical Indian Ocean. A total of 30 fisheries were finally determined from longline, purse seine and other-gears data sets, from which 10 longline and 4 purse seine fisheries represented 96 % of the whole historical geo-referenced catch. Nevertheless, one-third of total nominal catch is still not included due to a total lack of geo-referenced information and would need to be processed separately, accordingly to the requirements of the study. The geo-referenced records of catch, fishing effort and associated length frequency samples of all fisheries are available at PANGAEA.864154" target="_blank">doi:10.1594/PANGAEA.864154.

Diversification and Challenges of Software Engineering Standards

Science.gov (United States)

Poon, Peter T.

1994-01-01

The author poses certain questions in this paper: 'In the future, should there be just one software engineering standards set? If so, how can we work towards that goal? What are the challenges of internationalizing standards?' Based on the author's personal view, the statement of his position is as follows: 'There should NOT be just one set of software engineering standards in the future. At the same time, there should NOT be the proliferation of standards, and the number of sets of standards should be kept to a minimum.It is important to understand the diversification of the areas which are spanned by the software engineering standards.' The author goes on to describe the diversification of processes, the diversification in the national and international character of standards organizations, the diversification of the professional organizations producing standards, the diversification of the types of businesses and industries, and the challenges of internationalizing standards.
Efficient computation of smoothing splines via adaptive basis sampling

KAUST Repository

Ma, Ping

2015-06-24

© 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n³). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.
Efficient computation of smoothing splines via adaptive basis sampling

KAUST Repository

Ma, Ping; Huang, Jianhua Z.; Zhang, Nan

2015-01-01

© 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n³). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.
APAKAH DISTRIBUSI BAGI HASIL CASH BASIS ADIL BAGI DEPOSAN BANK SYARIAH ?

Directory of Open Access Journals (Sweden)

Saparuddin Siregar

2016-04-01

Full Text Available Abstrak: Apakah Distribusi Bagi Hasil Cash Basis Berkeadilan Bagi Deposan Bank Syariah? Artikel ini bertujuan untuk menganalisis metode pendistribusian bagi hasil bank syariah di Indonesia dengan berfokus kepada penerapan basis kas. Artikel ini menggunakan pendekatan kritis berdasarkan teori keadilan yang menekankan pada analisis koherensi atau konsistensi. Hasil studi menunjukkan bahwa distribusi bagi hasil basis kas tidak diterapkan secara konsisten untuk seluruh stakeholder bank syariah. Hal ini menyebabkan penerimaan yang lebih rendah untuk deposan. Studi ini merekomendasikan perlunya revisi terhadap standar akuntansi syariah agar menerapkan basis akrual pada semua bentuk distribusi bagi hasil. Abstract: Is Cash-Basis Profi-and-Loss Sharing Distribution Just for Islamic Bank Depositors? This article aims to analyze the distribution method of the profi sharing of Islamic bank in Indonesia which focusing in the application of cash basis. This article uses a critical approach which based in a theory of justice that emphasizes on the analysis of coherence or consistency. The study shows that the distribution of cash basis profi sharing are not applied consistently to all stakeholders in Islamic banks. This causes the lower receipts for depositors. This study recommends for a revision of the sharia accounting standards which apply to all forms of accrual basis for the profi sharing distribution.
Vitali systems in R^n with irregular sets

DEFF Research Database (Denmark)

Mejlbro, Leif; Topsøe, Flemming

1996-01-01

Vitali type theorems are results stating that out of a given family of sets one can select pairwise disjoint sets which fill out a "large" region. Usually one works with "regular" sets such as balls. We shall establish results with sets of a more complicated geometrical structure, e.g., Cantor......-like sets are allowed. The results are related to a generalisation of the classical notion of a differentiation basis.l They concern real n-space R^n and Lebesgue measure....
Acceptable risk as a basis for design

International Nuclear Information System (INIS)

Vrijling, J.K.; Hengel, W. van; Houben, R.J.

1998-01-01

Historically, human civilisations have striven to protect themselves against natural and man-made hazards. The degree of protection is a matter of political choice. Today this choice should be expressed in terms of risk and acceptable probability of failure to form the basis of the probabilistic design of the protection. It is additionally argued that the choice for a certain technology and the connected risk is made in a cost-benefit framework. The benefits and the costs including risk are weighed in the decision process. A set of rules for the evaluation of risk is proposed and tested in cases. The set of rules leads to technical advice in a question that has to be decided politically
Web Enabled DROLS Verity TopicSets

National Research Council Canada - National Science Library

Tong, Richard

1999-01-01

The focus of this effort has been the design and development of automatically generated TopicSets and HTML pages that provide the basis of the required search and browsing capability for DTIC's Web Enabled DROLS System...
Advanced Test Reactor Safety Basis Upgrade Lessons Learned Relative to Design Basis Verification and Safety Basis Management

International Nuclear Information System (INIS)

G. L. Sharp; R. T. McCracken

2004-01-01

The Advanced Test Reactor (ATR) is a pressurized light-water reactor with a design thermal power of 250 MW. The principal function of the ATR is to provide a high neutron flux for testing reactor fuels and other materials. The reactor also provides other irradiation services such as radioisotope production. The ATR and its support facilities are located at the Test Reactor Area of the Idaho National Engineering and Environmental Laboratory (INEEL). An audit conducted by the Department of Energy's Office of Independent Oversight and Performance Assurance (DOE OA) raised concerns that design conditions at the ATR were not adequately analyzed in the safety analysis and that legacy design basis management practices had the potential to further impact safe operation of the facility.1 The concerns identified by the audit team, and issues raised during additional reviews performed by ATR safety analysts, were evaluated through the unreviewed safety question process resulting in shutdown of the ATR for more than three months while these concerns were resolved. Past management of the ATR safety basis, relative to facility design basis management and change control, led to concerns that discrepancies in the safety basis may have developed. Although not required by DOE orders or regulations, not performing design basis verification in conjunction with development of the 10 CFR 830 Subpart B upgraded safety basis allowed these potential weaknesses to be carried forward. Configuration management and a clear definition of the existing facility design basis have a direct relation to developing and maintaining a high quality safety basis which properly identifies and mitigates all hazards and postulated accident conditions. These relations and the impact of past safety basis management practices have been reviewed in order to identify lessons learned from the safety basis upgrade process and appropriate actions to resolve possible concerns with respect to the current ATR safety
USEPA consideration of human intrusion in setting radioactive waste disposal standards

International Nuclear Information System (INIS)

Egan, D.J.; Hadlock, C.R.

1989-01-01

In 1985, the United States Environmental Protection Agency (USEPA) promulgated standards for the disposal of spent nuclear fuel and high-level and transuranic radioactive wastes (40 CFR Part 191). These standards placed limits, called containment requirements, on the projected releases of radioactivity due to both normal and accidental events for 10,000 years after disposal. The standards also contained qualitative assurance requirements that described the role foreseen for both active and passive institutional controls. They included both requirements for such institutional controls and limitations on the ways that they could be relied upon. This paper describes these assumptions about institutional controls made by the USEPA, and it discusses the types of future societies that would be consistent with such assumptions. The paper also reviews the USEPA's approach towards assessing the long-term performance of mined geologic repositories. In these assessments, the risks caused by inadvertent human intrusion into the area of a repository usually dominate the risks projected from other release scenarios. The assumptions made about inadvertent intrusion are discussed, and they are related to the policies regarding institutional controls. The disposal standards that the USEPA promulgated in 1985 were overturned by a Federal court in 1987, and the Agency is now preparing revised standards for public review and comment. These are expected to by published in 1990. However, the approaches regarding institutional controls and human intrusion are expected to remain the same as those used in 1985. Some paragraphs (selected by the NEA Secretariat) of 40 CFR Part 191, subpart B (as of 1985 version) with particular relevance to human intrusion are cited
A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.

Science.gov (United States)

Huertas, Ismael; Oldehinkel, Marianne; van Oort, Erik S B; Garcia-Solis, David; Mir, Pablo; Beckmann, Christian F; Marquand, Andre F

2017-11-01

The dominant approach to neuroimaging data analysis employs the voxel as the unit of computation. While convenient, voxels lack biological meaning and their size is arbitrarily determined by the resolution of the image. Here, we propose a multivariate spatial model in which neuroimaging data are characterised as a linearly weighted combination of multiscale basis functions which map onto underlying brain nuclei or networks or nuclei. In this model, the elementary building blocks are derived to reflect the functional anatomy of the brain during the resting state. This model is estimated using a Bayesian framework which accurately quantifies uncertainty and automatically finds the most accurate and parsimonious combination of basis functions describing the data. We demonstrate the utility of this framework by predicting quantitative SPECT images of striatal dopamine function and we compare a variety of basis sets including generic isotropic functions, anatomical representations of the striatum derived from structural MRI, and two different soft functional parcellations of the striatum derived from resting-state fMRI (rfMRI). We found that a combination of ∼50 multiscale functional basis functions accurately represented the striatal dopamine activity, and that functional basis functions derived from an advanced parcellation technique known as Instantaneous Connectivity Parcellation (ICP) provided the most parsimonious models of dopamine function. Importantly, functional basis functions derived from resting fMRI were more accurate than both structural and generic basis sets in representing dopamine function in the striatum for a fixed model order. We demonstrate the translational validity of our framework by constructing classification models for discriminating parkinsonian disorders and their subtypes. Here, we show that ICP approach is the only basis set that performs well across all comparisons and performs better overall than the classical voxel-based approach
Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde.

Science.gov (United States)

Morgan, W James; Matthews, Devin A; Ringholm, Magnus; Agarwal, Jay; Gong, Justin Z; Ruud, Kenneth; Allen, Wesley D; Stanton, John F; Schaefer, Henry F

2018-03-13

Geometric energy derivatives which rely on core-corrected focal-point energies extrapolated to the complete basis set (CBS) limit of coupled cluster theory with iterative and noniterative quadruple excitations, CCSDTQ and CCSDT(Q), are used as elements of molecular gradients and, in the case of CCSDT(Q), expansion coefficients of an anharmonic force field. These gradients are used to determine the CCSDTQ/CBS and CCSDT(Q)/CBS equilibrium structure of the S 0 ground state of H 2 CO where excellent agreement is observed with previous work and experimentally derived results. A fourth-order expansion about this CCSDT(Q)/CBS reference geometry using the same level of theory produces an exceptional level of agreement to spectroscopically observed vibrational band origins with a MAE of 0.57 cm -1 . Second-order vibrational perturbation theory (VPT2) and variational discrete variable representation (DVR) results are contrasted and discussed. Vibration-rotation, anharmonicity, and centrifugal distortion constants from the VPT2 analysis are reported and compared to previous work. Additionally, an initial application of a sum-over-states fourth-order vibrational perturbation theory (VPT4) formalism is employed herein, utilizing quintic and sextic derivatives obtained with a recursive algorithmic approach for response theory.
Technical basis document for internal dosimetry

CERN Document Server

Hickman, D P

1991-01-01

This document provides the technical basis for the Chem-Nuclear Geotech (Geotech) internal dosimetry program. Geotech policy describes the intentions of the company in complying with radiation protection standards and the as low as reasonably achievable (ALARA) program. It uses this policy and applicable protection standards to derive acceptable methods and levels of bioassay to assure compliance. The models and computational methods used are described in detail within this document. FR-om these models, dose- conversion factors and derived limits are computed. These computations are then verified using existing documentation and verification information or by demonstration of the calculations used to obtain the dose-conversion factors and derived limits. Recommendations for methods of optimizing the internal dosimetry program to provide effective monitoring and dose assessment for workers are provided in the last section of this document. This document is intended to be used in establishing an accredited dosi...
Investigation of confined hydrogen atom in spherical cavity, using B-splines basis set

Directory of Open Access Journals (Sweden)

M Barezi

2011-03-01

Full Text Available Studying confined quantum systems (CQS is very important in nano technology. One of the basic CQS is a hydrogen atom confined in spherical cavity. In this article, eigenenergies and eigenfunctions of hydrogen atom in spherical cavity are calculated, using linear variational method. B-splines are used as basis functions, which can easily construct the trial wave functions with appropriate boundary conditions. The main characteristics of B-spline are its high localization and its flexibility. Besides, these functions have numerical stability and are able to spend high volume of calculation with good accuracy. The energy levels as function of cavity radius are analyzed. To check the validity and efficiency of the proposed method, extensive convergence test of eigenenergies in different cavity sizes has been carried out.
Methodological basis for the optimization of a marine sea-urchin embryo test (SET) for the ecological assessment of coastal water quality.

Science.gov (United States)

Saco-Alvarez, Liliana; Durán, Iria; Ignacio Lorenzo, J; Beiras, Ricardo

2010-05-01

The sea-urchin embryo test (SET) has been frequently used as a rapid, sensitive, and cost-effective biological tool for marine monitoring worldwide, but the selection of a sensitive, objective, and automatically readable endpoint, a stricter quality control to guarantee optimum handling and biological material, and the identification of confounding factors that interfere with the response have hampered its widespread routine use. Size increase in a minimum of n=30 individuals per replicate, either normal larvae or earlier developmental stages, was preferred to observer-dependent, discontinuous responses as test endpoint. Control size increase after 48 h incubation at 20 degrees C must meet an acceptability criterion of 218 microm. In order to avoid false positives minimums of 32 per thousand salinity, 7 pH and 2mg/L oxygen, and a maximum of 40 microg/L NH(3) (NOEC) are required in the incubation media. For in situ testing size increase rates must be corrected on a degree-day basis using 12 degrees C as the developmental threshold. Copyright 2010 Elsevier Inc. All rights reserved.
The quest to standardize hemodialysis care.

Science.gov (United States)

Hegbrant, Jörgen; Gentile, Giorgio; Strippoli, Giovanni F M

2011-01-01

A large global dialysis provider's core activities include providing dialysis care with excellent quality, ensuring a low variability across the clinic network and ensuring strong focus on patient safety. In this article, we summarize the pertinent components of the quality assurance and safety program of the Diaverum Renal Services Group. Concerning medical performance, the key components of a successful quality program are setting treatment targets; implementing evidence-based guidelines and clinical protocols; consistently, regularly, prospectively and accurately collecting data from all clinics in the network; processing collected data to provide feedback to clinics in a timely manner, incorporating information on interclinic and intercountry variations; and revising targets, guidelines and clinical protocols based on sound scientific data. The key activities for ensuring patient safety include a standardized approach to education, i.e. a uniform education program including control of theoretical knowledge and clinical competencies; implementation of clinical policies and procedures in the organization in order to reduce variability and potential defects in clinic practice; and auditing of clinical practice on a regular basis. By applying a standardized and systematic continuous quality improvement approach throughout the entire organization, it has been possible for Diaverum to progressively improve medical performance and ensure patient safety. Copyright © 2011 S. Karger AG, Basel.
The ACT/NAGB Standard Setting Process: How "Modified" Does It Have To Be before It Is No Longer a Modified-Angoff Process?

Science.gov (United States)

Reckase, Mark D.

The kernel of the Angoff method of standard setting (W. Angoff, 1971) would seem to be the judgment of whether a minimally competent person could answer an item on a test correctly or not. So it would seem that any procedure that requires independent judgment of the correctness or incorrectness of a response to items for a minimally acceptable…
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit

Science.gov (United States)

Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias

2007-11-01

The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Møller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.
No-gold-standard evaluation of image-acquisition methods using patient data.

Science.gov (United States)

Jha, Abhinav K; Frey, Eric

2017-02-11

Several new and improved modalities, scanners, and protocols, together referred to as image-acquisition methods (IAMs), are being developed to provide reliable quantitative imaging. Objective evaluation of these IAMs on the clinically relevant quantitative tasks is highly desirable. Such evaluation is most reliable and clinically decisive when performed with patient data, but that requires the availability of a gold standard, which is often rare. While no-gold-standard (NGS) techniques have been developed to clinically evaluate quantitative imaging methods, these techniques require that each of the patients be scanned using all the IAMs, which is expensive, time consuming, and could lead to increased radiation dose. A more clinically practical scenario is where different set of patients are scanned using different IAMs. We have developed an NGS technique that uses patient data where different patient sets are imaged using different IAMs to compare the different IAMs. The technique posits a linear relationship, characterized by a slope, bias, and noise standard-deviation term, between the true and measured quantitative values. Under the assumption that the true quantitative values have been sampled from a unimodal distribution, a maximum-likelihood procedure was developed that estimates these linear relationship parameters for the different IAMs. Figures of merit can be estimated using these linear relationship parameters to evaluate the IAMs on the basis of accuracy, precision, and overall reliability. The proposed technique has several potential applications such as in protocol optimization, quantifying difference in system performance, and system harmonization using patient data.
A randomized controlled trial comparing customized versus standard headrests for head and neck radiotherapy immobilization in terms of set-up errors, patient comfort and staff satisfaction (ICORG 08-09)

International Nuclear Information System (INIS)

Howlin, C.; O'Shea, E.; Dunne, M.; Mullaney, L.; McGarry, M.; Clayton-Lea, A.; Finn, M.; Carter, P.; Garret, B.; Thirion, P.

2015-01-01

Purpose: To recommend a specific headrest, customized or standard, for head and neck radiotherapy patients in our institution based primarily on an evaluation of set-up accuracy, taking into account a comparison of patient comfort, staff and patient satisfaction, and resource implications. Methods and materials: Between 2008 and 2009, 40 head and neck patients were randomized to either a standard (Arm A, n = 21) or customized (Arm B, n = 19) headrest, and immobilized with a customized thermoplastic mask. Set-up accuracy was assessed using electronic portal images (EPI). Random and systematic set-up errors for each arm were determined from 668 EPIs, which were analyzed by one Radiation Therapist. Patient comfort was assessed using a visual analogue scale (VAS) and staff satisfaction was measured using an in-house questionnaire. Resource implications were also evaluated. Results: The difference in set-up errors between arms was not significant in any direction. However, in this study the standard headrest (SH) arm performed well, with set-up errors comparative to customized headrests (CHs) in previous studies. CHs require regular monitoring and 47% were re-vacuumed making them more resource intensive. Patient comfort and staff satisfaction were comparable in both arms. Conclusion: The SH provided similar treatment accuracy and patient comfort compared with the CH. The large number of CHs that needed to be re-vacuumed undermines their reliability for radiotherapy schedules that extend beyond 34 days from the initial CT scan. Accordingly the CH was more resource intensive without improving the accuracy of positioning, thus the standard headrest is recommended for continued use at our institution
Setting a protective PM standard: A view from the frontline

Energy Technology Data Exchange (ETDEWEB)

John Paul; Eddie Terrill [Dayton Regional Air Pollution Control Agency, Dayton, OH (United States)

2006-06-15

Several aspects of the US EPA's recent proposal to revise the particulate matter (PM) standards deeply concern state and local air agencies and their representatives with the State and Territorial Air Pollution Program Administrators and the Association of Local Air Pollution Control Offices (STAPPA and ALAPCO). STAPPA and ALAPCO urge EPA to follow the recommendations of its appointed scientific experts and lower the annual average standard to 13 or 14 {mu}mg/m{sup 3} in addition to lowering the daily standard to 35 {mu}m/m{sup 3}. Unless EPA strengthens its proposal consistent with the recommendations of the Clean Air Scientific Advisory Committee (CASAC), STAPPA and ALAPCO are extremely concerned that we will continue to see significant increased premature mortality and adverse health effects throughout the country. For the reasons described in the article STAPPA and ALAPCO urge EPA to eliminate the exemptions for agriculture, mining and rural windblown dust. STAPPA and ALAPCO are troubled that EPA has ignored any commitment to funding the proposed coarse PM network scheduled for deployment in Fiscal Year (FY) 2008. EPA has estimated that the capital costs of this monitoring network could easily exceed US$ 14 million, with annual operating expenses of approximately US$ 13 million. State and local agencies will simply not be able to assume these significant costs. 33 refs.

New Primary Standards for Establishing SI Traceability for Moisture Measurements in Solid Materials

Science.gov (United States)

Heinonen, M.; Bell, S.; Choi, B. Il; Cortellessa, G.; Fernicola, V.; Georgin, E.; Hudoklin, D.; Ionescu, G. V.; Ismail, N.; Keawprasert, T.; Krasheninina, M.; Aro, R.; Nielsen, J.; Oğuz Aytekin, S.; Österberg, P.; Skabar, J.; Strnad, R.

2018-01-01

A European research project METefnet addresses a fundamental obstacle to improving energy-intensive drying process control: due to ambiguous reference analysis methods and insufficient methods for estimating uncertainty in moisture measurements, the achievable accuracy in the past was limited and measurement uncertainties were largely unknown. This paper reports the developments in METefnet that provide a sound basis for the SI traceability: four new primary standards for realizing the water mass fraction were set up, analyzed and compared to each other. The operation of these standards is based on combining sample weighing with different water vapor detection techniques: cold trap, chilled mirror, electrolytic and coulometric Karl Fischer titration. The results show that an equivalence of 0.2 % has been achieved between the water mass fraction realizations and that the developed methods are applicable to a wide range of materials.
Efficient G0W0 using localized basis sets: a benchmark for molecules

Science.gov (United States)

Koval, Petr; Per Ljungberg, Mathias; Sanchez-Portal, Daniel

Electronic structure calculations within Hedin's GW approximation are becoming increasingly accessible to the community. In particular, as it has been shown earlier and we confirm by calculations using our MBPT_LCAO package, the computational cost of the so-called G0W0 can be made comparable to the cost of a regular Hartree-Fock calculation. In this work, we study the performance of our new implementation of G0W0 to reproduce the ionization potentials of all 117 closed-shell molecules belonging to the G2/97 test set, using a pseudo-potential starting point provided by the popular density-functional package SIESTA. Moreover, the ionization potentials and electron affinities of a set of 24 acceptor molecules are compared to experiment and to reference all-electron calculations. PK: Guipuzcoa Fellow; PK,ML,DSP: Deutsche Forschungsgemeinschaft (SFB1083); PK,DSP: MINECO MAT2013-46593-C6-2-P.
AEC sets five year nuclear safety research program

International Nuclear Information System (INIS)

Anon.

1976-01-01

The research by the government for the establishment of means of judging the adequacy of safety measures incorporated in nuclear facilities, including setting safety standards and collecting documents of general criteria, and the research by the industry on safety measures and the promotion of safety-related technique are stated in the five year program for 1976-80 reported by subcommittees, Atomic Energy Commission (AEC). Four considerations on the research items incorporated in the program are 1) technical programs relating to the safety of nuclear facilities and the necessary criteria, 2) priority of the relevant items decided according to their impact on circumstances, urgency, the defence-indepth concept and so on, 3) consideration of all relevant data and documents collected, and research subjects necessary to quantify safety measurement, and 4) consideration of technological actualization, the capability of each research body, the budget and the time schedule. In addition, seven major themes decided on the basis of these points are 1) reactivity-initiated accident, 2) LOCA, 3) fuel behavior, 4) structural safety, 5) radioactive release, 6) statistical method of safety evaluation, and 7) seismic characteristics. The committee has deliberated the appropriate division of researches between the government and the industry. A set of tables showing the nuclear safety research plan for 1976-80 are attached. (Iwakiri, K.)
ALWR utility requirements - A technical basis for updated emergency planning

International Nuclear Information System (INIS)

Leaver, David E.W.; DeVine, John C. Jr.; Santucci, Joseph

2004-01-01

U.S. utilities, with substantial support from international utilities, are developing a comprehensive set of design requirements in the form of a Utility Requirements Document (URD) as part of an industry wide effort to establish a technical foundation for the next generation of light water reactors. A key aspect of the URD is a set of severe accident-related design requirements which have been developed to provide a technical basis for updated emergency planning for the ALWR. The technical basis includes design criteria for containment performance and offsite dose during severe accident conditions. An ALWR emergency planning concept is being developed which reflects this severe accident capability. The main conclusion from this work is that the likelihood and consequences of a severe accident for an ALWR are fundamentally different from that assumed in the technical basis for existing emergency planning requirements, at least in the U.S. The current technical understanding of severe accident risk is greatly improved compared to that available when the existing U.S. emergency planning requirements were established nearly 15 years ago, and the emerging ALWR designs have superior core damage prevention and severe accident mitigation capability. Thus, it is reasonable and prudent to reflect this design capability in the emergency planning requirements for the ALWR. (author)
Influence of basis-set size on the X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B Σ 1 /2 +2 potential-energy curves, A Π 3 /2 2 vibrational energies, and D1 and D2 line shapes of Rb+He

Science.gov (United States)

Blank, L. Aaron; Sharma, Amit R.; Weeks, David E.

2018-03-01

The X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves for Rb+He are computed at the spin-orbit multireference configuration interaction level of theory using a hierarchy of Gaussian basis sets at the double-zeta (DZ), triple-zeta (TZ), and quadruple-zeta (QZ) levels of valence quality. Counterpoise and Davidson-Silver corrections are employed to remove basis-set superposition error and ameliorate size-consistency error. An extrapolation is performed to obtain a final set of potential-energy curves in the complete basis-set (CBS) limit. This yields four sets of systematically improved X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves that are used to compute the A Π 3 /2 2 bound vibrational energies, the position of the D2 blue satellite peak, and the D1 and D2 pressure broadening and shifting coefficients, at the DZ, TZ, QZ, and CBS levels. Results are compared with previous calculations and experimental observation.
Standardized Technical Specifications for Westinghouse PWRs

International Nuclear Information System (INIS)

1978-01-01

This Standard Technical Specification (STS) has been structured for the broadest possible use on Westinghouse plants currently being reviewed for an Operating License. Accordingly, the document contains specifications applicable to plants (1) with either 3 or 4 loops and (2) with and without loop stop valves. In addition, four separate and discrete containment specification sections are provided for each of the following containment types: Atmospheric, Ice Condenser, Sub-Atmospheric, and Dual. Optional specifications are provided for those features and systems which may be included in individual plant designs but are not generic in their scope of application. Alternate specifications are provided in a limited number of cases to cover situations where alternate specification requirements are necessary on a generic basis because of design differences. The format of the STS addresses the categories required by 10 CFR 50 and consists of six sections covering the areas of: Definitions, Safety Limits and Limiting Safety System Settings, Limiting Conditions for Operation, Surveillance Requirements, Design Features, and Administrative Controls
Regional vegetation management standards for commercial pine ...

African Journals Online (AJOL)

Although the understanding gained from these trials allowed for the development of vegetation management standards, their operational and economic viability need to be tested on a commercial basis. Four pine trials were thus initiated to test the applicability of these standards when utilised on a commercial scale. Two of ...
Evaluation of the Volatility Basis-Set Approach for Modeling Primary and Secondary Organic Aerosol in the Mexico City Metropolitan Area

Science.gov (United States)

Tsimpidi, A. P.; Karydis, V. A.; Pandis, S. N.; Zavala, M.; Lei, W.; Molina, L. T.

2007-12-01

Anthropogenic air pollution is an increasingly serious problem for public health, agriculture, and global climate. Organic material (OM) contributes ~ 20-50% to the total fine aerosol mass at continental mid-latitudes. Although OM accounts for a large fraction of PM2.5 concentration worldwide, the contributions of primary and secondary organic aerosol have been difficult to quantify. In this study, new primary and secondary organic aerosol modules were added to PMCAMx, a three dimensional chemical transport model (Gaydos et al., 2007), for use with the SAPRC99 chemistry mechanism (Carter, 2000; ENVIRON, 2006) based on recent smog chamber studies (Robinson et al., 2007). The new modeling framework is based on the volatility basis-set approach (Lane et al., 2007): both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. The emission inventory, which uses as starting point the MCMA 2004 official inventory (CAM, 2006), is modified and the primary organic aerosol (POA) emissions are distributed by volatility based on dilution experiments (Robinson et al., 2007). Sensitivity tests where POA is considered as nonvolatile and POA and SOA as chemically reactive are also described. In all cases PMCAMx is applied in the Mexico City Metropolitan Area during March 2006. The modeling domain covers a 180x180x6 km region in the MCMA with 3x3 km grid resolution. The model predictions are compared with Aerodyne's Aerosol Mass Spectrometry (AMS) observations from the MILAGRO Campaign. References Robinson, A. L.; Donahue, N. M.; Shrivastava, M. K.; Weitkamp, E. A.; Sage, A. M.; Grieshop, A. P.; Lane, T. E.; Pandis, S. N.; Pierce, J. R., 2007. Rethinking organic aerosols: semivolatile emissions and photochemical aging. Science 315, 1259-1262. Gaydos, T. M.; Pinder, R. W.; Koo, B.; Fahey, K. M.; Pandis, S. N., 2007. Development and application of a three- dimensional aerosol
Handbook of Gaussian basis sets

International Nuclear Information System (INIS)

Poirier, R.; Kari, R.; Csizmadia, I.G.

1985-01-01

A collection of a large body of information is presented useful for chemists involved in molecular Gaussian computations. Every effort has been made by the authors to collect all available data for cartesian Gaussian as found in the literature up to July of 1984. The data in this text includes a large collection of polarization function exponents but in this case the collection is not complete. Exponents for Slater type orbitals (STO) were included for completeness. This text offers a collection of Gaussian exponents primarily without criticism. (Auth.)
An investigation on comprehensive evaluation and standard of image quality of high voltage chest radiograph

International Nuclear Information System (INIS)

Yan Shulin; Li Shuopeng; Zhao Bo; Niu Yantao

1998-01-01

Purpose: Based on clinical diagnostic demand, patient irradiation dose and imaging technical parameters, to establish a comprehensive evaluation method and standard in chest radiograph. Methods: (1) From 10 normal chest radiographs, the authors selected the evaluation area on thoracic PA (posteroanterior) radiographs and set up standard for diagnostic demand; (2) Using chest CT scans of 20 males and 20 females, the authors calculated the ratio of lung field to mediastinum; (3) Selecting 100 chest films using 125 kVp, the authors measured the standard density values of each evaluation area; (4) Body surface irradiation doses of 478 normal adults were measured. Results: (1) Based on diagnostic demand, the authors confirmed 7 evaluation areas and 4 physical evaluation factors. At the same time, evaluation standards were obtained; (2) Comprehensive evaluation methods were established; (3) Standard height, weight and body surface irradiation dose of Chinese normal adults were investigated preliminarily. Conclusion: Based on the concept of comprehensive evaluation, investigation on the evaluation methods and standard in chest PA radiograph was carried out which might be taken as the foundation for future approach on nation-wide basis
Setting the standard: Medical Education's first 50 years.

Science.gov (United States)

Rangel, Jaime C; Cartmill, Carrie; Kuper, Ayelet; Martimianakis, Maria A; Whitehead, Cynthia R

2016-01-01

By understanding its history, the medical education community gains insight into why it thinks and acts as it does. This piece provides a Foucauldian archaeological critical discourse analysis (CDA) of the journal Medical Education on the publication of its 50th Volume. This analysis draws upon critical social science perspectives to allow the examination of unstated assumptions that underpin and shape educational tools and practices. A Foucauldian form of CDA was utilised to examine the journal over its first half-century. This approach emphasises the importance of language, and the ways in which words used affect and are affected by educational practices and priorities. An iterative methodology was used to organise the very large dataset (12,000 articles). A distilled dataset, within which particular focus was placed on the editorial pieces in the journal, was analysed. A major finding was the diversity of the journal as a site that has permitted multiple - and sometimes contradictory - discursive trends to emerge. One particularly dominant discursive tension across the time span of the journal is that between a persistent drive for standardisation and a continued questioning of the desirability of standardisation. This tension was traced across three prominent areas of focus in the journal: objectivity and the nature of medical education knowledge; universality and local contexts, and the place of medical education between academia and the community. The journal has provided the medical education community with a place in which to both discuss practical pedagogical concerns and ponder conceptual and social issues affecting the medical education community. This dual nature of the journal brings together educators and researchers; it also gives particular focus to a major and rarely cited tension in medical education between the quest for objective standards and the limitations of standard measures. © 2015 John Wiley & Sons Ltd.
Simplified Analytic Approach of Pole-to-Pole Faults in MMC-HVDC for AC System Backup Protection Setting Calculation

Directory of Open Access Journals (Sweden)

Tongkun Lan

2018-01-01

Full Text Available AC (alternating current system backup protection setting calculation is an important basis for ensuring the safe operation of power grids. With the increasing integration of modular multilevel converter based high voltage direct current (MMC-HVDC into power grids, it has been a big challenge for the AC system backup protection setting calculation, as the MMC-HVDC lacks the fault self-clearance capability under pole-to-pole faults. This paper focused on the pole-to-pole faults analysis for the AC system backup protection setting calculation. The principles of pole-to-pole faults analysis were discussed first according to the standard of the AC system protection setting calculation. Then, the influence of fault resistance on the fault process was investigated. A simplified analytic approach of pole-to-pole faults in MMC-HVDC for the AC system backup protection setting calculation was proposed. In the proposed approach, the derived expressions of fundamental frequency current are applicable under arbitrary fault resistance. The accuracy of the proposed approach was demonstrated by PSCAD/EMTDC (Power Systems Computer-Aided Design/Electromagnetic Transients including DC simulations.
What's in a ray set: moving towards a unified ray set format

Science.gov (United States)

Muschaweck, Julius

2011-10-01

For the purpose of optical simulation, a plethora of formats exist to describe the properties of a light source. Except for the EULUMDAT and IES formats which describe sources in terms of aperture area and far field intensity, all these formats are vendor specific, and no generally accepted standard exists. Most illumination simulation software vendors use their own format for ray sets, which describe sources in terms of many rays. Some of them keep their format definition proprietary. Thus, software packages typically can read or write only their own specific format, although the actual data content is not so different. Typically, they describe origin and direction of each ray in 3D vectors, and use one more single number for magnitude, where magnitude may denote radiant flux, luminous flux (equivalently tristimulus Y), or tristimulus X and Z. Sometimes each ray also carries its wavelength, while other formats allow to specify an overall spectrum for the whole source. In addition, in at least one format, polarization properties are also included for each ray. This situation makes it inefficient and potentially error prone for light source manufacturers to provide ray data sets for their sources in many different formats. Furthermore, near field goniometer vendors again use their proprietary formats to store the source description in terms of luminance data, and offer their proprietary software to generate ray sets from this data base. Again, the plethora of ray sets make the ray set production inefficient and potentially error prone. In this paper, we propose to describe ray data sets in terms of phase space, as a step towards a standardized ray set format. It is well known that luminance and radiance can be defined as flux density in phase space: luminance is flux divided by etendue. Therefore, single rays can be thought of as center points of phase space cells, where each cell possesses its volume (i.e. etendue), its flux, and therefore its luminance. In
Subdissociative intranasal ketamine plus standard pain therapy versus standard pain therapy in the treatment of paediatric sickle cell disease vaso-occlusive crises in resource-limited settings: study protocol for a randomised controlled trial.

Science.gov (United States)

Young, James R; Sawe, Hendry Robert; Mfinanga, Juma A; Nshom, Ernest; Helm, Ethan; Moore, Charity G; Runyon, Michael S; Reynolds, Stacy L

2017-07-10

Pediatric sickle cell disease, highly prevalent in sub-Saharan Africa, carries great morbidity and mortality risk. Limited resources and monitoring make management of acute vaso-occlusive crises challenging. This study aims to evaluate the efficacy and safety of subdissociative intranasal ketamine as a cheap, readily available and easily administered adjunct to standard pain therapy. We hypothesise that subdissociative, intranasal ketamine may significantly augment current approaches to pain management in resource-limited settings in a safe and cost-effective manner. This is a multicentred, randomised, double-blind, placebo-controlled trial enrolling children 4-16 years of age with sickle cell disease and painful vaso-occlusive pain crises. Study sites include two sub-Saharan teaching and referral hospitals with acute intake areas. All patients receive standard analgesic therapy during evaluation. Patients randomised to the treatment arm receive 1 mg/kg intranasal ketamine at onset of therapy, while placebo arm participants receive volume-matched intranasal normal saline. All participants and clinical staff are blinded to the treatment allocation. Data will be analysed on an intention-to-treat basis. Primary endpoints are changes in self-report pain scales (Faces Pain Scale-Revised) at 30, 60 and 120 minutes and rates of adverse events. Secondary endpoints include hospital length of stay, total analgesia use and quality of life assessment 2-3 weeks postintervention. The research methods for this study have been approved by the Cameroon Baptist Convention Health Board Institutional Review Board (IRB2015-07), the Tanzanian National Institute for Medical Research (NIMR/HQ/R.8a/Vol. IX/2299), Muhimbili National Hospital IRB (MNH/IRB/I/2015/14) and the Tanzanian Food and Drugs Authority (TFDA0015/CTR/0015/9). Data reports will be provided to the Data and Safety Monitoring Board (DSMB) periodically throughout the study as well as all reports of adverse events. All
Repair mechanisms and exposure standards

International Nuclear Information System (INIS)

Mills, W.A.

1978-01-01

The following topics are discussed; public policy for setting radiation standards; use of linear, nonthreshold theory in setting radiation standards; dose-rate dependence; occupational exposure to radiation; radon inhalation from radium in the soil in the vicinity of the phosphate industry; relation of repair mechanisms for cell survival to cancer induction; application of information on genetic repair to humans and to cancer induction; importance of repair processes in radiation protection standards; corrective factors for repair processes; relation of repair processes to age, sex, and other factors; and population distribution in radiosensitivity
Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method

International Nuclear Information System (INIS)

Xu, Peng; Gordon, Mark S.

2013-01-01

The charge transfer (CT) interaction, the most time-consuming term in the general effective fragment potential method, is made much more computationally efficient. This is accomplished by the projection of the quasiatomic minimal-basis-set orbitals (QUAMBOs) as the atomic basis onto the self-consistent field virtual molecular orbital (MO) space to select a subspace of the full virtual space called the valence virtual space. The diagonalization of the Fock matrix in terms of QUAMBOs recovers the canonical occupied orbitals and, more importantly, gives rise to the valence virtual orbitals (VVOs). The CT energies obtained using VVOs are generally as accurate as those obtained with the full virtual space canonical MOs because the QUAMBOs span the valence part of the virtual space, which can generally be regarded as “chemically important.” The number of QUAMBOs is the same as the number of minimal-basis MOs of a molecule. Therefore, the number of VVOs is significantly smaller than the number of canonical virtual MOs, especially for large atomic basis sets. This leads to a dramatic decrease in the computational cost
On what basis are medical cost-effectiveness thresholds set? Clashing opinions and an absence of data: a systematic review.

Science.gov (United States)

Cameron, David; Ubels, Jasper; Norström, Fredrik

2018-01-01

The amount a government should be willing to invest in adopting new medical treatments has long been under debate. With many countries using formal cost-effectiveness (C/E) thresholds when examining potential new treatments and ever-growing medical costs, accurately setting the level of a C/E threshold can be essential for an efficient healthcare system. The aim of this systematic review is to describe the prominent approaches to setting a C/E threshold, compile available national-level C/E threshold data and willingness-to-pay (WTP) data, and to discern whether associations exist between these values, gross domestic product (GDP) and health-adjusted life expectancy (HALE). This review further examines current obstacles faced with the presently available data. A systematic review was performed to collect articles which have studied national C/E thresholds and willingness-to-pay (WTP) per quality-adjusted life year (QALY) in the general population. Associations between GDP, HALE, WTP, and C/E thresholds were analyzed with correlations. Seventeen countries were identified from nine unique sources to have formal C/E thresholds within our inclusion criteria. Thirteen countries from nine sources were identified to have WTP per QALY data within our inclusion criteria. Two possible associations were identified: C/E thresholds with HALE (quadratic correlation of 0.63), and C/E thresholds with GDP per capita (polynomial correlation of 0.84). However, these results are based on few observations and therefore firm conclusions cannot be made. Most national C/E thresholds identified in our review fall within the WHO's recommended range of one-to-three times GDP per capita. However, the quality and quantity of data available regarding national average WTP per QALY, opportunity costs, and C/E thresholds is poor in comparison to the importance of adequate investment in healthcare. There exists an obvious risk that countries might either over- or underinvest in healthcare if they
General description of transverse mode Bessel beams and construction of basis Bessel fields

Science.gov (United States)

Wang, Jia Jie; Wriedt, Thomas; Lock, James A.; Jiao, Yong Chang

2017-07-01

Based on an analysis of polarized Bessel beams using the Hertz vector potentials and the angular spectrum representation (ASR), a general description of transverse mode Bessel beams is proposed. As opposed to the cases of linearly and circularly polarized Bessel beams, the magnetic and electric fields of a Bessel beam in a transverse mode are orthogonal to each other. Both sets of fields together form a complete set of basis Bessel fields, in terms of which an arbitrary Bessel beam can be regarded as a linear combination. The completeness of the basis Bessel fields is analyzed from the perspectives of waveguide theory and vector wave functions. Decompositions of linearly polarized, circularly polarized, and circularly symmetric n-order Bessel beams in terms of basis Bessel fields are given. The results presented in this paper provide a fresh perspective on the description of Bessel beams, which are useful in casting insights into the experimental generation of Bessel beams and the interpretation of light scattering-related problems in practice.
Calculations of standard-Higgs-boson production cross sections in e+e- collisions by means of a reasonable set of parameters

International Nuclear Information System (INIS)

Biyajima, M.; Shirane, K.; Terazawa, O.

1987-01-01

We calculate cross sections for production of the standard Higgs boson in e + e - collisions and compare our results with those of several authors. It is found that there are appreciable differences among them which can be attributed to the coupling constants used, α(0) ( = (1/137) and G/sub F/. We also observe that cross sections depend on the magnitudes of the total width of the Z particle. The use of a reasonable set of parameters in calculations is emphasized
Novel approach for tomographic reconstruction of gas concentration distributions in air: Use of smooth basis functions and simulated annealing

Science.gov (United States)

Drescher, A. C.; Gadgil, A. J.; Price, P. N.; Nazaroff, W. W.

Optical remote sensing and iterative computed tomography (CT) can be applied to measure the spatial distribution of gaseous pollutant concentrations. We conducted chamber experiments to test this combination of techniques using an open path Fourier transform infrared spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). Although ART converged to solutions that showed excellent agreement with the measured ray-integral concentrations, the solutions were inconsistent with simultaneously gathered point-sample concentration measurements. A new CT method was developed that combines (1) the superposition of bivariate Gaussians to represent the concentration distribution and (2) a simulated annealing minimization routine to find the parameters of the Gaussian basis functions that result in the best fit to the ray-integral concentration data. This method, named smooth basis function minimization (SBFM), generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present an analysis of two sets of experimental data that compares the performance of ART and SBFM. We conclude that SBFM is a superior CT reconstruction method for practical indoor and outdoor air monitoring applications.

SIS - Species and Stock Administrative Data Set

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The Species and Stock Administrative data set within the Species Information System (SIS) defines entities within the database that serve as the basis for recording...
The international spinal cord injury endocrine and metabolic function basic data set.

Science.gov (United States)

Bauman, W A; Biering-Sørensen, F; Krassioukov, A

2011-10-01

To develop the International Spinal Cord Injury (SCI) Endocrine and Metabolic Function Basic Data Set within the framework of the International SCI Data Sets that would facilitate consistent collection and reporting of basic endocrine and metabolic findings in the SCI population. International. The International SCI Endocrine and Metabolic Function Data Set was developed by a working group. The initial data set document was revised on the basis of suggestions from members of the Executive Committee of the International SCI Standards and Data Sets, the International Spinal Cord Society (ISCoS) Executive and Scientific Committees, American Spinal Injury Association (ASIA) Board, other interested organizations and societies, and individual reviewers. In addition, the data set was posted for 2 months on ISCoS and ASIA websites for comments. The final International SCI Endocrine and Metabolic Function Data Set contains questions on the endocrine and metabolic conditions diagnosed before and after spinal cord lesion. If available, information collected before injury is to be obtained only once, whereas information after injury may be collected at any time. These data include information on diabetes mellitus, lipid disorders, osteoporosis, thyroid disease, adrenal disease, gonadal disease and pituitary disease. The question of gonadal status includes stage of sexual development and that for females also includes menopausal status. Data will be collected for body mass index and for the fasting serum lipid profile. The complete instructions for data collection and the data sheet itself are freely available on the websites of ISCoS (http://www.iscos.org.uk) and ASIA (http://www.asia-spinalinjury.org).
Standard specification for agencies performing nondestructive testing

CERN Document Server

American Society for Testing and Materials. Philadelphia

2009-01-01

1.1 This specification covers minimum requirements for agencies performing nondestructive testing (NDT). 1.2 When using this specification to assess the capability of, or to accredit NDT agencies, Guide E 1359 shall be used as a basis for the survey. It can be supplemented as necessary with more detail in order to meet the auditor's specific needs. 1.3 This specification can be used as a basis to evaluate testing or inspection agencies, or both, and is intended for use for the qualifying or accrediting, or both, of testing or inspection agencies, public or private. 1.4 The use of SI or inch-pound units, or combination thereof, will be the responsibility of the technical committee whose standards are referred to in this standard. 1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to...
49 CFR 229.73 - Wheel sets.

Science.gov (United States)

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false Wheel sets. 229.73 Section 229.73 Transportation... TRANSPORTATION RAILROAD LOCOMOTIVE SAFETY STANDARDS Safety Requirements Suspension System § 229.73 Wheel sets. (a...) when applied or turned. (b) The maximum variation in the diameter between any two wheel sets in a three...
Design-Load Basis for LANL Structures, Systems, and Components

Energy Technology Data Exchange (ETDEWEB)

I. Cuesta

2004-09-01

This document supports the recommendations in the Los Alamos National Laboratory (LANL) Engineering Standard Manual (ESM), Chapter 5--Structural providing the basis for the loads, analysis procedures, and codes to be used in the ESM. It also provides the justification for eliminating the loads to be considered in design, and evidence that the design basis loads are appropriate and consistent with the graded approach required by the Department of Energy (DOE) Code of Federal Regulation Nuclear Safety Management, 10, Part 830. This document focuses on (1) the primary and secondary natural phenomena hazards listed in DOE-G-420.1-2, Appendix C, (2) additional loads not related to natural phenomena hazards, and (3) the design loads on structures during construction.
The Topological Basis Realization for Six Qubits and the Corresponding Heisenberg Spin -{1/2} Chain Model

Science.gov (United States)

Yang, Qi; Cao, Yue; Chen, Shiyin; Teng, Yue; Meng, Yanli; Wang, Gangcheng; Sun, Chunfang; Xue, Kang

2018-03-01

In this paper, we construct a new set of orthonormal topological basis states for six qubits with the topological single loop d = 2. By acting on the subspace, we get a new five-dimensional (5D) reduced matrix. In addition, it is shown that the Heisenberg XXX spin-1/2 chain of six qubits can be constructed from the Temperley-Lieb algebra (TLA) generator, both the energy ground state and the spin singlet states of the system can be described by the set of topological basis states.
The Topological Basis Realization for Six Qubits and the Corresponding Heisenberg Spin-1/2 Chain Model

Science.gov (United States)

Yang, Qi; Cao, Yue; Chen, Shiyin; Teng, Yue; Meng, Yanli; Wang, Gangcheng; Sun, Chunfang; Xue, Kang

2018-06-01

In this paper, we construct a new set of orthonormal topological basis states for six qubits with the topological single loop d = 2. By acting on the subspace, we get a new five-dimensional (5 D) reduced matrix. In addition, it is shown that the Heisenberg XXX spin-1/2 chain of six qubits can be constructed from the Temperley-Lieb algebra (TLA) generator, both the energy ground state and the spin singlet states of the system can be described by the set of topological basis states.
Surface interpolation with radial basis functions for medical imaging

International Nuclear Information System (INIS)

Carr, J.C.; Beatson, R.K.; Fright, W.R.

1997-01-01

Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill
Qudit-Basis Universal Quantum Computation Using χ(2 ) Interactions

Science.gov (United States)

Niu, Murphy Yuezhen; Chuang, Isaac L.; Shapiro, Jeffrey H.

2018-04-01

We prove that universal quantum computation can be realized—using only linear optics and χ(2 ) (three-wave mixing) interactions—in any (n +1 )-dimensional qudit basis of the n -pump-photon subspace. First, we exhibit a strictly universal gate set for the qubit basis in the one-pump-photon subspace. Next, we demonstrate qutrit-basis universality by proving that χ(2 ) Hamiltonians and photon-number operators generate the full u (3 ) Lie algebra in the two-pump-photon subspace, and showing how the qutrit controlled-Z gate can be implemented with only linear optics and χ(2 ) interactions. We then use proof by induction to obtain our general qudit result. Our induction proof relies on coherent photon injection or subtraction, a technique enabled by χ(2 ) interaction between the encoding modes and ancillary modes. Finally, we show that coherent photon injection is more than a conceptual tool, in that it offers a route to preparing high-photon-number Fock states from single-photon Fock states.
Qudit-Basis Universal Quantum Computation Using χ^{(2)} Interactions.

Science.gov (United States)

Niu, Murphy Yuezhen; Chuang, Isaac L; Shapiro, Jeffrey H

2018-04-20

We prove that universal quantum computation can be realized-using only linear optics and χ^{(2)} (three-wave mixing) interactions-in any (n+1)-dimensional qudit basis of the n-pump-photon subspace. First, we exhibit a strictly universal gate set for the qubit basis in the one-pump-photon subspace. Next, we demonstrate qutrit-basis universality by proving that χ^{(2)} Hamiltonians and photon-number operators generate the full u(3) Lie algebra in the two-pump-photon subspace, and showing how the qutrit controlled-Z gate can be implemented with only linear optics and χ^{(2)} interactions. We then use proof by induction to obtain our general qudit result. Our induction proof relies on coherent photon injection or subtraction, a technique enabled by χ^{(2)} interaction between the encoding modes and ancillary modes. Finally, we show that coherent photon injection is more than a conceptual tool, in that it offers a route to preparing high-photon-number Fock states from single-photon Fock states.
NIOH and NIOSH basis for an occupational health standard: Chlorobenzene

International Nuclear Information System (INIS)

Hellman, B.

1993-01-01

Information relevant for assessing potential adverse health effects from occupational exposure to chlorobenzene was reviewed and summarized. Topics included physical properties, chemical properties, production levels, industrial uses, occupational exposure levels, toxicokinetics, acute and chronic toxicity, organ system toxicity, immunotoxicity, allergy, genotoxicity, carcinogenicity, teratogenicity, reproductive toxicity, dose/response relationships, and research needs. Studies have indicated that chlorobenzene is absorbed via respiratory and dermal routes and has resulted in headaches, dizziness, somnolence, and dyspeptic disorders in humans chronically exposed. There were no case reports or epidemiological studies available concerned with the potential carcinogenicity of chlorobenzene in humans. There was some limited evidence indicating that the compound is genotoxic and that it may induce hematopoietic toxicity at relatively moderate doses. The author concludes that the central nervous system effects and the hepatotoxic effects should be considered in setting occupational exposure limits
Best Estimate plus Uncertainty (BEPU) Analyses in the IAEA Safety Standards

International Nuclear Information System (INIS)

Dusic, Milorad; )

2013-01-01

The Safety Standards Series establishes an essential basis for safety and represents the broadest international consensus. Safety Standards Series publications are categorized into: Safety Fundamental (Present the overall objectives, concepts and principles of protection and safety, they are the policy documents of the safety standards), Safety Requirements (Establish requirements that must be met to ensure the protection and safety of people and the environment, both now and in the future), and Safety Guides (Provide guidance, in the form of more detailed actions, conditions or procedures that can be used to comply with the Requirements). The incorporation of more detailed requirements, in accordance with national practice, may still be necessary. There should be only one set of international safety standards. Each safety standard will be reviewed by the relevant committee or by the commission every five years. Best Estimate plus Uncertainty (BEPU) Analyses are approached in the following IAEA Safety Standards: - Safety Requirements SSR 2/1 - Safety of NPPs, Design (Revision of NS-R-1); - General Safety Requirement GSR Part 4: Safety Assessment for Facilities and Activities; - Safety Guide SSG-2 Deterministic Safety Analysis for Nuclear Power Plants. NUSSC suggested that new safety guides should be accompanied by documents like TECDOCs or Safety Reports describing in detail their recommendations where appropriate. Special review is currently underway to identify needs for revision in the light of the Fukushima accident. Revision will concern, first, the Safety Requirements, and then, the Selected Safety Guides
Data Standards for the Genomes to Life Program

Energy Technology Data Exchange (ETDEWEB)

Arkin, Adam; Ambrosiano, John; Babnigg, Gyorgy; Frank, Ed; Geist,Al; Giometti, Carol; Jacobsen, Janet; Samatova, Nagiza; Slater, Nancy; Taylor, Ron

2004-01-31

varies for different equipment and usually need to beformatted differently for the variety of computer programs used todisplay and analyze the data. If, however, data for a given type ofexperiment were converted from vendor format to a format defined by adata standard, then researchers and software developers could save time.In addition, if data and information describing how they were obtainedwere available in a consistent format throughout the GTL Program,comparison and integration of results would be facilitated and a datarepository could be built to encourage project-wide data mining.Datastandards also are essential for archiving data sets. If data are storedtogether with the experiment metadata (i.e., information about the data)in an 'information/data package', then the data retain their value due tothe accessibility of information about measurement and analysisprocedures.DOE's commitment to developing data standards for the GTLProgram is needed to ensure that the most value is obtained from DOE'sexpenditures on experimental work and to provide a data repository thatcan be used as the basis for on-going model development. By developingdata standards for experiments conducted as part of the GTL Program, DOEhas the opportunity to facilitate data sharing not only within the DOEcommunity, but also with research institutes through theworld.
Technical basis document for internal dosimetry

International Nuclear Information System (INIS)

Hickman, D.P.

1991-01-01

This document provides the technical basis for the Chem-Nuclear Geotech (Geotech) internal dosimetry program. Geotech policy describes the intentions of the company in complying with radiation protection standards and the as low as reasonably achievable (ALARA) program. It uses this policy and applicable protection standards to derive acceptable methods and levels of bioassay to assure compliance. The models and computational methods used are described in detail within this document. FR-om these models, dose- conversion factors and derived limits are computed. These computations are then verified using existing documentation and verification information or by demonstration of the calculations used to obtain the dose-conversion factors and derived limits. Recommendations for methods of optimizing the internal dosimetry program to provide effective monitoring and dose assessment for workers are provided in the last section of this document. This document is intended to be used in establishing an accredited dosimetry program in accordance with expected Department of Energy Laboratory Accreditation Program (DOELAP) requirements for the selected radionuclides provided in this document, including uranium mill tailing mixtures. Additions and modifications to this document and procedures derived FR-om this document are expected in the future according to changes in standards and changes in programmatic mission
Cryogenic Insulation Standard Data and Methodologies Project

Science.gov (United States)

Summerfield, Burton; Thompson, Karen; Zeitlin, Nancy; Mullenix, Pamela; Fesmire, James; Swanger, Adam

2015-01-01

Extending some recent developments in the area of technical consensus standards for cryogenic thermal insulation systems, a preliminary Inter-Laboratory Study of foam insulation materials was performed by NASA Kennedy Space Center and LeTourneau University. The initial focus was ambient pressure cryogenic boil off testing using the Cryostat-400 flat-plate instrument. Completion of a test facility at LETU has enabled direct, comparative testing, using identical cryostat instruments and methods, and the production of standard thermal data sets for a number of materials under sub-ambient conditions. The two sets of measurements were analyzed and indicate there is reasonable agreement between the two laboratories. Based on cryogenic boiloff calorimetry, new equipment and methods for testing thermal insulation systems have been successfully developed. These boiloff instruments (or cryostats) include both flat plate and cylindrical models and are applicable to a wide range of different materials under a wide range of test conditions. Test measurements are generally made at large temperature difference (boundary temperatures of 293 K and 78 K are typical) and include the full vacuum pressure range. Results are generally reported in effective thermal conductivity (ke) and mean heat flux (q) through the insulation system. The new cryostat instruments provide an effective and reliable way to characterize the thermal performance of materials under subambient conditions. Proven in through thousands of tests of hundreds of material systems, they have supported a wide range of aerospace, industry, and research projects. Boiloff testing technology is not just for cryogenic testing but is a cost effective, field-representative methodology to test any material or system for applications at sub-ambient temperatures. This technology, when adequately coupled with a technical standards basis, can provide a cost-effective, field-representative methodology to test any material or system
7 CFR 91.45 - Charges for laboratory services on a contract basis.

Science.gov (United States)

2010-01-01

... basis as will reimburse the Agricultural Marketing Service of the Department for the full cost of... that will reimburse the Agricultural Marketing Service of the Department for the full cost of rendering... MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE (CONTINUED...
42 CFR 403.764 - Basis and purpose of religious nonmedical health care institutions providing home service.

Science.gov (United States)

2010-10-01

... care institutions providing home service. 403.764 Section 403.764 Public Health CENTERS FOR MEDICARE... Basis and purpose of religious nonmedical health care institutions providing home service. (a) Basis... and 1878 of the Act regarding Medicare payment for items and services provided in the home setting...
Ergonomic Analysis of Tricycle Sidecar Seats: Basis for Proposed Standard Design

Directory of Open Access Journals (Sweden)

Michael C. Godoy

2015-12-01

Full Text Available Ergonomics (also called human factors engineering is the study of human characteristics for the appropriate design of the living and work environment. It is applied in various industrial areas which includes transportation.Tricycle being one of the most common means of public transportation in Lipa City has various adaptations to suit the culture, and environment. The purpose of this study is to analyze the variability in design of the tricycles in Lipa City, Philippines and propose a standard ergonomically designed tricycle sidecar seat for a greater population. The study was conducted at 26 tricycle terminals with 232 tricycle samples within Lipa City proper including the public market area where 400 commuters were given questionnaires to determine the risk factors associated with the existing tricycle sidecar seat design. Anthropometric measurements of 100 males and 100 female commuters were obtained together with the sidecar dimensions of 232 tricycles to substantiate the observed variations in design. Using the design for the average and design for the extremes, it was found out that most of the tricycles in Lipa City, Philippines have inappropriate inclined seat and lowered sidecar seat pan height which can result to leg and abdominal pain; narrowed seat pan depth which caused pressure on buttocks and legs; narrowed backrest width which can cause upper and low back pain; low backrest height that can pose upper back pain; which can also result to abdominal pain; inclined backrest and limited vertical clearance which can cause upper back pain and neck pain. The researcher proposed a sidecar seat design standard which can be used by the Land Transportation Office, and Land Transportation Franchising and Regulatory Board to provide ease, comfort, and convenience to the passengers.
International standards and agreements in food irradiation

International Nuclear Information System (INIS)

Cetinkaya, N.

2004-01-01

Full text: The economies of both developed and developing countries have been effected by their exported food and agricultural products. Trading policies of food and agricultural products are governed by international agreement as well as national regulations. Trade in food and agricultural commodities may be affected by both principal Agreements within the overall World Trade Organization (WTO) Agreement, though neither specifically refers to irradiation or irradiated foods. The principal Agreements are the Technical Barriers to Trade (TBT) Agreement and the Sanitary and Phyto sanitary (SPS) Agreement. The SPS of the WTO requires governments to harmonize their sanitary and phyto sanitary measures on as wide basis as possible. Related standards, guidelines and recommendations of international standard setting bodies such as the Codex Alimentarius Commission (food safety); the International Plant Protection Convention (IPPC) (plant health and quarantine); and International Office of Epizootic (animal health and zoo noses) should be used in such a harmonization. International Standards for Phyto sanitary Measures (ISPM) no.18 was published under the IPPC by FAO (April 2003, Rome-Italy). ISPM standard provides technical guidance on the specific procedure for the application of ionizing radiation as a phyto sanitary treatment for regulated pests or articles. Moreover, Codex Alimentarius Commission, Codex General Standard for Irradiated Foods (Stand 106-1983) and Recommended International Code of Practice were first published in 1983 and revised in March 2003. Scope of this standard applies to foods processed by ionizing radiation that is used in conjunction with applicable hygienic codes, food standards and transportation codes. It does not apply to foods exposed to doses imparted by measuring instruments used for inspection purposes. Codex documents on Principles and Guidelines for the Import/Export Inspection and Certification of Foods have been prepared to guide
Computing single step operators of logic programming in radial basis function neural networks

Science.gov (United States)

Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong

2014-07-01

Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.

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