Search results for " correlation"
showing 10 items of 1380 documents
Molecular equilibrium geometries based on coupled-cluster calculations including quadruple excitations
2005
Using analytic gradient techniques and an additivity scheme for the various electron correlation contributions, i.e. core-correlation, contribution due to full treatment of triple excitations and contributions due to quadruple excitations calculated with different basis sets, the accuracy of computed geometrical parameters are analysed in comparison with experiment. For a test set of 12 closed-shell and 5 open-shell molecules, it is found that inclusion of quadruple excitations is essential to reach agreement with experiment. The mean error of 0.002 pm and the standard deviation of 0.040 pm of the present CCSD(T)/cc-pV6Z + core(CCSD(T)/cc-pCVQZ) + T/cc-pVTZ + Q/cc-pVDZ results for the close…
Evidence for Photoinduced Hole Coupling in BaTiO3:Co
1995
A possible photoinduced correlation mechanism in BaTiO 3 : Co is described. The underlying microscopic process is a local hole photoinjection at a Co 3+ site close to a preexisting metastable hole, The Jahn-Teller field at the Co 2+ site transfers this pair of holes in the next cell along the rhombic direction [111] before normal polaronic or band conduction. The spatial extension of this correlation depends on a characteristic «delocalization» length. This unstable conductive state appears to be possibly frozen in a permanent way below T c
COMMUNICATION. OBSERVATIONS ON THE 121-Sb MÖSSBAUER PARAMETERS OF ANTIMONY (III) COMPOUNDS FEATURING A PYRAMIDAL SbS3SKELETAL UNIT
1991
Abstract A linear correlation between the chemical isomer shift and the quadrupole coupling constant for a number of antimony tris-thiolates has been evidenced. This behaviour can be rationalized on considering a modulation of the s/p character of the lone pair of electrons from the influence of secondary bonds.
Sparse model-based network inference using Gaussian graphical models
2010
We consider the problem of estimating a sparse dynamic Gaussian graphical model with L1 penalized maximum likelihood of structured precision matrix. The structure can consist of specific time dynamics, known presence or absence of links in the graphical model or equality constraints on the parameters. The model is defined on the basis of partial correlations, which results in a specific class precision matrices. A priori L1 penalized maximum likelihood estimation in this class is extremely difficult, because of the above mentioned constraints, the computational complexity of the L1 constraint on the side of the usual positive-definite constraint. The implementation is non-trivial, but we sh…
Sign and Rank Covariance Matrices: Statistical Properties and Application to Principal Components Analysis
2002
In this paper, the estimation of covariance matrices based on multivariate sign and rank vectors is discussed. Equivariance and robustness properties of the sign and rank covariance matrices are described. We show their use for the principal components analysis (PCA) problem. Limiting efficiencies of the estimation procedures for PCA are compared.
Cross-Cultural Adaptation, Translation, and Validation of the Spanish Foot and Ankle Outcome Score Questionnaire
2020
The Spanish Foot and Ankle Outcome Score questionnaire (FAOS‐S) may be considered a health evaluation tool with 42 questions for assessing foot health disorders. To date, FAOS has been validated in different languages, but a Spanish version was lacking. Consequently, the purpose of this study was to translate and validate the Spanish version of the FAOS (FAOS es). A suitable method was developed for the translation protocol and cross‐cultural validation from Swedish to Spanish. Regarding the total marks from each domain, agreement degrees and confidence were analysed using the Cronbach's α and intraclass correlation coefficient, respectively. In addition, the mean ± SD differences between p…
Trauma in cirrhosis: an indicator of the pattern of alcohol abuse in different societies.
1991
While some morbidities associated with the excessive use of alcohol are related to the total amount of alcohol consumed--cirrhosis being an example--other pathologies, such as trauma and those of psycho-social origin, are mainly related to the frequency of acute alcoholic intoxication rather than to the total amount consumed. The balance between these two types of alcohol-associated morbidities can provide an indication of the relative frequency of intoxication, and thus of the pattern of alcohol abuse in a population. Since trauma is highly associated with acute alcoholic intoxication, the prevalence of bone fractures was determined in cirrhotics in nine countries. The prevalence of rib an…
Repeatability and reliability of the diabetic foot self-care questionnaire in Arabic patients: A transcultural adaptation.
2022
Abstract Purpose The diabetic foot self-care questionnaire is considered a self-care evaluation tool with 16 questions for assessing diabetic foot health disorders. To date, the DFSQ has been validated in different languages, but an Arabic version was lacking. Consequently, the purpose of this study was to translate and validate the Arabic version of the DFSQ (DFSQ-AR). Method A suitable method was developed for the translation protocol and cross-cultural validation from Spanish to Arabic. Regarding the total marks from each sub-scale, agreement degrees and confidence were analyzed using Cronbach's α and intraclass correlation coefficient (ICC), respectively. In addition, the mean ± standar…
Spatial Localization in Manufacturing: A Cross-Country Analysis
2009
This paper employs a homogenous firms' database to investigate industry localiza- tion in European countries. More specifically, we compare, across industries and countries, the predictions of two of the most popular localization indices, i.e., the Ellison and Glaeser index (Ellison and Glaeser, 1997) and the Duranton and Over- man index (Duranton and Overman, 2005). We find that, independently from the index used, localization is a pervasive phenomenon in all countries studied, but the degree of localization is very uneven across industries in each country. Furthermore, we find that the two indices significantly diverge in predicting the intensity of the forces generating localization with…
Effectiveness of BFRP confinement on the compressive behaviour of clay brick masonry cylinders
2020
Abstract This paper presents the results of an experimental and analytical study on the compressive behaviour of small clay brick masonry cylinders reinforced with a basalt fibre reinforced polymer (BFRP) composite. Fourteen cylinders, manufactured using two assembling schemes and confined using either one or two layers of BFRP grids, were tested under monotonic compression loading. Traditional strain measuring systems were integrated with digital image correlation (DIC) technique. The BFRP confined masonry cylinders showed a ductile behaviour characterised by a softening branch of the stress–strain curve. The experimental strains, strength, and full stress–strain curves were modelled using…