We use first-principles calculations to study the effect of magnetic disorder and electron correlations on the structural and thermodynamic properties of CrN. We illustrate the usability of a special quasirandom structure supercell treatment of the magnetic disorder by comparing with coherent potential approximation calculations and with a complementary magnetic sampling method. The need of a t...

The identification and discrimination of 2 closely related and morphologically similar species of Gyrodactylus, G. salaris and G. thymalli, were assessed using the statistical classification methodologies Linear Discriminant Analysis (LDA) and k-Nearest Neighbours (KNN). These statistical methods were applied to morphometric measurements made on the gyrodactylid attachment hooks. The mean estim...

Source-normalised Linear Discriminant Analysis (SNLDA) was recently introduced to improve speaker recognition using i-vectors extracted from multiple speech sources. SNLDA normalises for the effect of speech source in the calculation of the between-speaker covariance matrix. Sourcenormalised-and-weighted (SNAW) LDA computes a weighted average of source-normalised covariance matrices to better e...

We calculate the electronic structure of several atoms and small molecules by direct minimization of the Self-Interaction Corrected Local Density Approximation (SIC-LDA) functional. To do this we rst derive an expression for the gradient of this functional under the constraint that the orbitals be orthogonal and show that previously given expressions do not correctly incorporate this constraint...

In latent Dirichlet allocation (LDA), topics are multinomial distributions over the entire vocabulary. However, the vocabulary usually contains many words that are not relevant in forming the topics. We adopt a variable selection method widely used in statistical modeling as a dimension reduction tool and combine it with LDA. In this variable selection model for LDA (vsLDA), topics are multinom...

We calculate the electronic structure of several atoms and small molecules by direct minimization of the self-interaction-corrected–local-density-approximation ~SIC-LDA! functional. To do this, we first derive an expression for the gradient of this functional under the constraint that the orbitals be orthogonal and then show that previously given expressions do not correctly incorporate this co...

To clarify the pathophysiology of left displaced abomasum (LDA), beef cattle fed high-starch diets were examined. The abomasal pH in beef cattle with LDA was lower than that in non-LDA reference animals (data from beef cattle at an abattoir), suggesting that it facilitated acidity. Bacteriological examinations of the abomasal fluid in cattle with LDA revealed the presence of Pseudomonas spp., C...

We found that the conventional model of orbital-ordering of 3x(2)-r(2)/3y(2)-r(2) type in the e(g) states of La0.5Sr1.5MnO4 is incompatible with measurements of linear dichroism in the Mn 2p-edge x-ray absorption, whereas these e(g) states exhibit predominantly cross-type orbital ordering of x(2)-z(2)/y(2)-z(2). LDA+U band-structure calculations reveal that such a cross-type orbital-ordering re...

Consequences of anisotropy (variation of orbital occupation) and magnetism, and their coupling, are analyzed for LSDA+U functionals, both the commonly used ones as well as less commonly applied functionals. After reviewing and extending some earlier observations for an isotropic interaction, the anisotropies are examined more fully and related to use with the local density (LDA) or local spin d...

Abstract The electronic characteristics and magnetism of nitrogen passivated armchair ZnO nanoribbons (NA8ZnONRs) by applying an electric field were analyzed using the DFT method at LDA+U level. outcomes suggest that intrinsic (A8ZnONRs) are nonmagnetic semiconductors. After passivation, NA8ZnONRs display ferromagnetism, whose (3.21 μB) primarily derives from spin polarization p orbital electro...