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Aim: The microbial metabolic quotient (MMQ; mg CO2‐C/mg MBC/h), defined as the amount of microbial CO2 respired (MR; mg CO2‐C/kg soil/h) per unit of microbial biomass C (MBC; mg C/kg soil), is a key parameter for understanding the microbial regulation of the carbon (C) cycle, including soil C sequestration. Here, we experimentally tested hypotheses about the individual and interactive effects of multiple nutrient addition (nitrogen + phosphorus + potassium + micronutrients) and herbivore exclusion on MR, MBC and MMQ across 23 sites (five continents). Our sites encompassed a wide range of edaphoclimatic conditions; thus, we assessed which edaphoclimatic variables affected MMQ the most and how they interacted with our treatments. Location: Australia, Asia, Europe, North/South America. Time period: 2015–2016. Major taxa: Soil microbes. Methods: Soils were collected from plots with established experimental treatments. MR was assessed in a 5‐week laboratory incubation without glucose addition, MBC via substrate‐induced respiration. MMQ was calculated as MR/MBC and corrected for soil temperatures (MMQsoil). Using linear mixed effects models (LMMs) and structural equation models (SEMs), we analysed how edaphoclimatic characteristics and treatments interactively affected MMQsoil. Results: MMQsoil was higher in locations with higher mean annual temperature, lower water holding capacity and lower soil organic C concentration, but did not respond to our treatments across sites as neither MR nor MBC changed. We attributed this relative homeostasis to our treatments to the modulating influence of edaphoclimatic variables. For example, herbivore exclusion, regardless of fertilization, led to greater MMQsoil only at sites with lower soil organic C (< 1.7%). Main conclusions: Our results pinpoint the main variables related to MMQsoil across grasslands and emphasize the importance of the local edaphoclimatic conditions in controlling the response of the C cycle to anthropogenic stressors. By testing hypotheses about MMQsoil across global edaphoclimatic gradients, this work also helps to align the conflicting results of prior studies. [ABSTRACT FROM AUTHOR]

Nowadays, point clouds are the standard product when capturing reality independent of scale and measurement technique. Especially, Dense Image Matching (DIM) and Laser Scanning (LS) are state of the art capturing methods for a great variety of applications producing detailed point clouds up to billions of points. In-depth analysis of such huge point clouds typically requires sophisticated spatial indexing structures to support potentially long-lasting automated non-interactive processing tasks like feature extraction, semantic labelling, surface generation, and the like. Nevertheless, a visual inspection of the point data is often necessary to obtain an impression of the scene, roughly check for completeness, quality, and outlier rates of the captured data in advance. Also intermediate processing results, containing additional per-point computed attributes, may require visual analyses to draw conclusions or to parameterize further processing. Over the last decades a variety of commercial, free, and open source viewers have been developed that can visualise huge point clouds and colorize them based on available attributes. However, they have either a poor loading and navigation performance, visualize only a subset of the points, or require the creation of spatial indexing structures in advance. In this paper, we evaluate a progressive method that is capable of rendering any point cloud that fits in GPU memory in real time without the need of time consuming hierarchical acceleration structure generation. In combination with our multi-threaded LAS and LAZ loaders, we achieve load performance of up to 20 million points per second, display points already while loading, support flexible switching between different attributes, and rendering up to one billion points with visually appealing navigation behaviour. Furthermore, loading times of different data sets for different open source and commercial software packages are analysed. [ABSTRACT FROM AUTHOR]

He-atom scattering is a well established and valuable tool for investigating surface structure. The correct interpretation of the experimental data requires an accurate description of the He-surface interaction potential. A quantum-mechanical treatment of the interaction potential is presented using the current dominant methodologies for computing ground state energies (Hartree-Fock, local and hybrid-exchange density functional theory) and also a novel post-Hartree-Fock ab initio technique for periodic systems (a local implementation of Mo\ller-Plesset perturbation theory at second order). The predicted adsorption well depth and long range behavior of the interaction are compared with that deduced from experimental data in order to assess the accuracy of the interaction potential. [ABSTRACT FROM AUTHOR]

Rigorous methods for the post-HF (HF—Hartree–Fock) determination of correlation corrections for crystalline solids are currently being developed following different strategies. The CRYSTAL program developed in Torino and Daresbury provides accurate HF solutions for periodic systems in a basis set of Gaussian type functions; for insulators, the occupied HF manifold can be represented as an antisymmetrized product of well localized Wannier functions. This makes possible the extension to nonconducting crystals of local correlation linear scaling On techniques as successfully and efficiently implemented in Stuttgart’s MOLPRO program. These methods exploit the fact that dynamic electron correlation effects between remote parts of a molecule (manifesting as dispersive interactions in intermolecular perturbation theory) decay as an inverse sixth power of the distance R between these fragments, that is, much more quickly than the Coulomb interactions that are treated already at the HF level. Translational symmetry then permits the crystalline problem to be reduced to one concerning a cluster around the reference zero cell. A periodic local correlation program (CRYSCOR) has been prepared along these lines, limited for the moment to the solution of second-order Mo\ller-Plesset equations. Exploitation of point group symmetry is shown to be more important and useful than in the molecular case. The computational strategy adopted and preliminary results concerning five semiconductors with tetrahedral structure (C, Si, SiC, BN, and BeS) are presented and discussed. [ABSTRACT FROM AUTHOR]

The previously developed DFT-SAPT approach, which combines symmetry-adapted intermolecular perturbation theory (SAPT) with a density-functional theory (DFT) representation of the monomers, has been implemented by using density fitting of two-electron objects. This approach, termed DF-DFT-SAPT, scales with the fifth power of the molecular size and with the third power upon increase of the basis set size for a given dimer, thus drastically reducing the cost of the conventional DFT-SAPT method. The accuracy of the density fitting approximation has been tested for the ethyne dimer. It has been found that the errors in the interaction energies due to density fitting are below 10-3 kcal/mol with suitable auxiliary basis sets and thus one or two orders of magnitude smaller than the errors due to the use of a limited atomic orbital basis set. An investigation of three prominent structures of the benzene dimer, namely, the T shaped, parallel displaced, and sandwich geometries, employing basis sets of up to augmented quadruple-ζ quality shows that DF-DFT-SAPT outperforms second-order Møller-Plesset theory (MP2) and gives total interaction energies which are close to the best estimates infered from combining the results of MP2 and coupled-cluster theory with single, double, and perturbative triple excitations.© 2005 American Institute of Physics. [ABSTRACT FROM AUTHOR]