Coupled Cluster Channels in the Homogeneous Electron Gas

We discuss diagrammatic modifications to the coupled cluster doubles (CCD) equations, wherein different groups of terms out of rings, ladders, crossed-rings and mosaics can be removed to form approximations to the coupled cluster method, of interest due to their similarity with various types of random phase approximations. The finite uniform electron gas is benchmarked for 14- and 54-electron systems at the complete basis set limit over a wide density range and performance of different flavours of CCD are determined. These results confirm that rings generally overcorrelate and ladders generally undercorrelate; mosaics-only CCD yields a result surprisingly close to CCD. We use a recently developed numerical analysis [J. J. Shepherd and A. Gr\"uneis, Phys. Rev. Lett. 110, 226401 (2013)] to study the behaviours of these methods in the thermodynamic limit. We determine that the mosaics, on forming the Brueckner Hamltonian, open a gap in the effective one-particle eigenvalues at the Fermi energy. Numerical evidence is presented which shows that methods based on this renormalisation have convergent energies in the thermodynamic limit including mosaic-only CCD, which is just a renormalised MP2. All other methods including only a single channel, namely ladder-only CCD, ring-only CCD and crossed-ring-only CCD, appear to yield divergent energies; incorporation of mosaic terms prevents this from happening.Comment: 9 pages, 4 figures, 1 table. Comments welcome: [email protected]

Patterns of past and recent conversion of indigenous grasslands in the South Island, New Zealand

We used recent satellite imagery to quantify the extent, type, and rate of conversion of remaining indigenous grasslands in the inland eastern South Island of New Zealand in recent years. We describe the pattern of conversion in relation to national classifications of land use capability and land environments, and ecological and administrative districts and regions. We show that although large areas of indigenous grasslands remain, grassland loss has been ongoing. Indigenous grassland was reduced in the study area by 3% (70 200 ha) between 1990 and 2008. Almost two-thirds of post-1990 conversion occurred in threatened environments with less than 30% of indigenous cover remaining, primarily in the Waitaki, Mackenzie and Central Otago administrative districts. This conversion occurred primarily on non-arable land. In the Mackenzie and Waitaki districts the rate of conversion in 2001-2008 was approximately twice that in 1990-2001. Opportunities to protect more of the full range of indigenous grasslands lie with the continuing tenure review process in these districts

Operational large-scale segmentation of imagery based on iterative elimination

Image classification and interpretation are greatly aided through the use of image segmentation. Within the field of environmental remote sensing, image segmentation aims to identify regions of unique or dominant ground cover from their attributes such as spectral signature, texture and context. However, many approaches are not scalable for national mapping programmes due to limits in the size of images that can be processed. Therefore, we present a scalable segmentation algorithm, which is seeded using k-means and provides support for a minimum mapping unit through an innovative iterative elimination process. The algorithm has also been demonstrated for the segmentation of time series datasets capturing both the intra-image variation and change regions. The quality of the segmentation results was assessed by comparison with reference segments along with statistics on the inter- and intra-segment spectral variation. The technique is computationally scalable and is being actively used within the national land cover mapping programme for New Zealand. Additionally, 30-m continental mosaics of Landsat and ALOS-PALSAR have been segmented for Australia in support of national forest height and cover mapping. The algorithm has also been made freely available within the open source Remote Sensing and GIS software Library (RSGISLib)

Accurate exchange-correlation energies for the warm dense electron gas

Density matrix quantum Monte Carlo (DMQMC) is used to sample exact-on-average $N$-body density matrices for uniform electron gas systems of up to 10$^{124}$ matrix elements via a stochastic solution of the Bloch equation. The results of these calculations resolve a current debate over the accuracy of the data used to parametrize finite-temperature density functionals. Exchange-correlation energies calculated using the real-space restricted path-integral formalism and the $k$-space configuration path-integral formalism disagree by up to $\sim$$10$\% at certain reduced temperatures $T/T_F \le 0.5$ and densities $r_s \le 1$. Our calculations confirm the accuracy of the configuration path-integral Monte Carlo results available at high density and bridge the gap to lower densities, providing trustworthy data in the regime typical of planetary interiors and solids subject to laser irradiation. We demonstrate that DMQMC can calculate free energies directly and present exact free energies for $T/T_F \ge 1$ and $r_s \le 2$.Comment: Accepted version: added free energy data and restructured text. Now includes supplementary materia

Open-source development experiences in scientific software: the HANDE quantum Monte Carlo project

The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with a variety of backgrounds in computational science. In the course of preparing a public, open-source release, we have taken this opportunity to step back and look at what we have done and what we hope to do in the future. We pay particular attention to development processes, the approach taken to train students joining the project, and how a flat hierarchical structure aids communicationComment: 6 pages. Submission to WSSSPE

Global Precipitation Measurement

This chapter begins with a brief history and background of microwave precipitation sensors, with a discussion of the sensitivity of both passive and active instruments, to trace the evolution of satellite-based rainfall techniques from an era of inference to an era of physical measurement. Next, the highly successful Tropical Rainfall Measuring Mission will be described, followed by the goals and plans for the Global Precipitation Measurement (GPM) Mission and the status of precipitation retrieval algorithm development. The chapter concludes with a summary of the need for space-based precipitation measurement, current technological capabilities, near-term algorithm advancements and anticipated new sciences and societal benefits in the GPM era

Ferrous fumarate fortification of a chocolate drink powder

An evaluation was made into the usefulness of ferrous fumarate as an iron fortificant for an experimental chocolate drink powder targetted to children and adolescents. Organoleptically ferrous fumarate was acceptable when the chocolate drink powder was reconstituted in milk or water that was heated to < 80°. Unacceptable colour changes occurred, however, when boiling milk or water were used. In human Fe absorption studies when the Fe compounds were added to the chocolate drink immediately before consumption, ferrous fumarate was 3.31 % absorbed compared with 2.82% for ferrous sulphate and 2.11 % for ferric pyrophosphate. When the Fe compounds were processed during the manufacture of the chocolate drink powder, the absorption of ferrous fumarate was 5.27 %, ferrous sulphate 2.62 % and ferric pyrophosphate 0.55 %. Ascorbic acid had little or no effect on the absorption of ferrous fumarate. It is concluded that food processing can influence the relative absorption of fortification Fe and that, if not reconstituted with boiling milk or water, ferrous fumarate could be a useful compound for the fortification of chocolate drink powder