Washington State University

About: Washington State University is a education organization based out in Pullman, Washington, United States. It is known for research contribution in the topics: Population & Gene. The organization has 26947 authors who have published 57736 publications receiving 2341509 citations. The organization is also known as: WSU & Wazzu.

Geostatistical tools for modeling and interpreting ecological spatial dependence

Abstract: Geostatistics brings to ecology novel tools for the interpretation of spatial patterns of organisms, of the numerous environmental components with which they in- teract, and of the joint spatial dependence between organisms and their environment. The purpose of this paper is to use data from the ecological literature as well as from original research to provide a comprehensive and easily understood analysis ofgeostatistics' manner of modeling and methods. The traditional geostatistical tool, the variogram, a tool that is beginning to be used in ecology, is shown to provide an incomplete and misleading summary of spatial pattern when local means and variances change. Use of the non-ergodic covariance and correlogram provides a more effective description of lag-to-lag spatial dependence because the changing local means and variances are accounted for. Indicator transforma- tions capture the spatial patterns of nominal ecological variables like gene frequencies and the presence/absence of an organism and of subgroups of a population like large or small individuals. Robust variogram measures are shown to be useful in data sets that contain many data outliers. Appropriate removal of outliers reveals latent spatial dependence and patterns. Cross-variograms, cross-covariances, and cross-correlograms define the joint spa- tial dependence between co-occurring organisms. The results of all of these analyses bring new insights into the spatial relations of organisms in their environment.

Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn

Abstract: Sequences of basis sets that systematically converge towards the complete basis set (CBS) limit have been developed for the first-row transition metal elements Sc–Zn. Two families of basis sets, nonrelativistic and Douglas-Kroll-Hess (-DK) relativistic, are presented that range in quality from triple-ζ to quintuple-ζ. Separate sets are developed for the description of valence (3d4s) electron correlation (cc-pVnZ and cc-pVnZ-DK; n=T,Q, 5) and valence plus outer-core (3s3p3d4s) correlation (cc-pwCVnZ and cc-pwCVnZ-DK; n=T,Q, 5), as well as these sets augmented by additional diffuse functions for the description of negative ions and weak interactions (aug-cc-pVnZ and aug-cc-pVnZ-DK). Extensive benchmark calculations at the coupled cluster level of theory are presented for atomic excitation energies, ionization potentials, and electron affinities, as well as molecular calculations on selected hydrides (TiH, MnH, CuH) and other diatomics (TiF, Cu2). In addition to observing systematic convergence towards the C...