Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis

We extend the recently introduced phaseless auxiliary-field quantum Monte Carlo (QMC) approach to any single-particle basis, and apply it to molecular systems with Gaussian basis sets. QMC methods in general scale favorably with system size, as a low power. A QMC approach with auxiliary fields in principle allows an exact solution of the Schrodinger equation in the chosen basis. However, the well-known sign/phase problem causes the statistical noise to increase exponentially. The phaseless method controls this problem by constraining the paths in the auxiliary-field path integrals with an approximate phase condition that depends on a trial wave function. In the present calculations, the trial wave function is a single Slater determinant from a Hartree-Fock calculation. The calculated all-electron total energies show typical systematic errors of no more than a few milli-Hartrees compared to exact results. At equilibrium geometries in the molecules we studied, this accuracy is roughly comparable to that of coupled-cluster with single and double excitations and with non-iterative triples, CCSD(T). For stretched bonds in H$_2$O, our method exhibits better overall accuracy and a more uniform behavior than CCSD(T).Comment: 11 pages, 5 figures. submitted to JC

Hold on to your egg profits

IN recent years, much sound advice has been made available to poultry farmers to assist them in developing their properties and operating them on profitable lines. Much of this advice has been utilised to good advantage, but there are still many properties on which the profits are being reduced by feed wastage, damage by rats and mice, lack of sufficient attention to egg quality, unnecessarily high labour costs and failure to keep farm records

Post-streptococcal glomerulonephritis is a strong risk factor for chronic kidney disease in later life

Although unusual in western countries and in Australia in general, post-streptococcal glomerulonephritis (PSGN) is still common in Australian Aboriginal children living in remote communities. Here, we evaluated whether episodes of acute PSGN increased the risk for chronic kidney disease in later life in 1519 residents of a remote Aboriginal community (85% of those age eligible), with high rates of renal and cardiovascular disease, who participated in a health screen over a 3-year period. Of these, 200 had had at least one episode of PSGN, with 27 having had multiple episodes, usually in childhood. High levels of albuminuria (albumin/creatinine ratio) with increasing age were confirmed. All PSGN episodes were associated with group A streptococcal skin infections, often related to scabies. In both genders, aged 10-39 years at screening, about one in five had such a history. Among them, PSGN (5 years or more earlier) was significantly associated with higher levels of albuminuria than those without. In women, aged 30-39 years, a history of PSGN was associated with a significantly higher frequency of estimated glomerular filtration rates < 60 ml/min. The adjusted odds ratios for an albumin/creatinine ratio over 34 g/mol (overt albuminuria) in males and females with a history of PSGN were 4.6 and 3.1, respectively, compared with those without a history. Thus, PSGN contributes to the very serious burden of chronic kidney disease in this community. Rigorous strategies to prevent scabies and Group A streptococcal infections will reduce this burden

Feeding, Reproduction, and Development of the Red Palm Mite (Acari: Tenuipalpidae) on Selected Palms and Banana Cultivars in Quarantine

ABSTRACT The red palm mite, Raoiella indica Hirst, an important pest of coconut, banana, and date palms is a new invasive pest in the Western Hemisphere. The red palm mite (RPM) has been observed attacking bananas and plantains in Dominica and in Florida (M. A. Hoy, A. Cocco, personal observation). In order to develop an efficient method to rear the RPM in quarantine for a classical biological control project, several banana and plantain varieties were tested as hosts for the RPM. Bananas are more desirable than coconut (a favored host plant) because bananas are easier to rear in small cages and will produce new shoots quickly after pruning. Red palm mite females did not establish on the banana and plantain varieties (Dwarf Cavendish, Dwarf Nino, Gran Nain, Dwarf Zan Moreno, Dwarf Green, Truly Tiny, Musa sumatrana × Gran Nain, Dwarf Puerto Rican, Rose, Nang Phaya, Misi Luki, Manzano, Lady Finger, Glui Kai, and Ebun Musak) of leaf discs tested, but they established on coconut leaf discs. The mites could no..

A Dynamic Axiomatic Approach to First-Price Auctions

The first-price auction is popular in practice for its simplicity and transparency. Moreover, its potential virtues grow in complex settings where incentive compatible auctions may generate little or no revenue. Unfortunately, the first-price auction is poorly understood in theory because equilibrium is not {\em a priori} a credible predictor of bidder behavior. We take a dynamic approach to studying first-price auctions: rather than basing performance guarantees solely on static equilibria, we study the repeated setting and show that robust performance guarantees may be derived from simple axioms of bidder behavior. For example, as long as a loser raises her bid quickly, a standard first-price auction will generate at least as much revenue as a second-price auction. We generalize this dynamic technique to complex pay-your-bid auction settings and show that progressively stronger assumptions about bidder behavior imply progressively stronger guarantees about the auction's performance. Along the way, we find that the auctioneer's choice of bidding language is critical when generalizing beyond the single-item setting, and we propose a specific construction called the {\em utility-target auction} that performs well. The utility-target auction includes a bidder's final utility as an additional parameter, identifying the single dimension along which she wishes to compete. This auction is closely related to profit-target bidding in first-price and ascending proxy package auctions and gives strong revenue guarantees for a variety of complex auction environments. Of particular interest, the guaranteed existence of a pure-strategy equilibrium in the utility-target auction shows how Overture might have eliminated the cyclic behavior in their generalized first-price sponsored search auction if bidders could have placed more sophisticated bids

Renal biopsy findings among Indigenous Australians: a nationwide review

Australia's Indigenous people have high rates of chronic kidney disease and kidney failure. To define renal disease among these people, we reviewed 643 renal biopsies on Indigenous people across Australia, and compared them with 249 biopsies of non-Indigenous patients. The intent was to reach a consensus on pathological findings and terminology, quantify glomerular size, and establish and compare regional biopsy profiles. The relative population-adjusted biopsy frequencies were 16.9, 6.6, and 1, respectively, for Aboriginal people living remotely/very remotely, for Torres Strait Islander people, and for non-remote-living Aboriginal people. Indigenous people more often had heavy proteinuria and renal failure at biopsy. No single condition defined the Indigenous biopsies and, where biopsy rates were high, all common conditions were in absolute excess. Indigenous people were more often diabetic than non-Indigenous people, but diabetic changes were still present in fewer than half their biopsies. Their biopsies also had higher rates of segmental sclerosis, post-infectious glomerulonephritis, and mixed morphologies. Among the great excess of biopsies in remote/very remote Aborigines, females predominated, with younger age at biopsy and larger mean glomerular volumes. Glomerulomegaly characterized biopsies with mesangiopathic changes only, with IgA deposition, or with diabetic change, and with focal segmental glomerulosclerosis (FSGS). This review reveals great variations in biopsy rates and findings among Indigenous Australians, and findings refute the prevailing dogma that most indigenous renal disease is due to diabetes. Glomerulomegaly in remote/very remote Aboriginal people is probably due to nephron deficiency, in part related to low birth weight, and probably contributes to the increased susceptibility to kidney disease and the predisposition to FSGS

Topological analysis of polymeric melts: Chain length effects and fast-converging estimators for entanglement length

Primitive path analyses of entanglements are performed over a wide range of chain lengths for both bead spring and atomistic polyethylene polymer melts. Estimators for the entanglement length N_e which operate on results for a single chain length N are shown to produce systematic O(1/N) errors. The mathematical roots of these errors are identified as (a) treating chain ends as entanglements and (b) neglecting non-Gaussian corrections to chain and primitive path dimensions. The prefactors for the O(1/N) errors may be large; in general their magnitude depends both on the polymer model and the method used to obtain primitive paths. We propose, derive and test new estimators which eliminate these systematic errors using information obtainable from the variation of entanglement characteristics with chain length. The new estimators produce accurate results for N_e from marginally entangled systems. Formulas based on direct enumeration of entanglements appear to converge faster and are simpler to apply.Comment: Major revisions. Developed near-ideal estimators which operate on multiple chain lengths. Now test these on two very different model polymers

Use of the Global Alliance for Musculoskeletal Health survey module for estimating the population prevalence of musculoskeletal pain: Findings from the Solomon Islands

Background: Musculoskeletal (MSK) conditions are common and the biggest global cause of physical disability. The objective of the current study was to estimate the population prevalence of MSK-related pain using a standardized global MSK survey module for the first time. Methods: A MSK survey module was constructed by the Global Alliance for Musculoskeletal Health Surveillance Taskforce and the Global Burden of Disease MSK Expert Group. The MSK module was included in the 2015 Solomon Islands Demographic and Health Survey. The sampling design was a two-stage stratified, nationally representative sample of households. Results: A total of 9214 participants aged 15-49 years were included in the analysis. The age-standardized four-week prevalence of activity-limiting low back pain, neck pain, and hip and/or knee pain was 16.8, 8.9, and 10.8%, respectively. Prevalence tended to increase with age, and be higher in those with lower levels of education. Conclusions: Prevalence of activity-limited pain was high in all measured MSK sites. This indicates an important public health issue for the Solomon Islands that needs to be addressed. Efforts should be underpinned by integration with strategies for other non-communicable diseases, aging, disability, and rehabilitation, and with other sectors such as social services, education, industry, and agriculture. Primary prevention strategies and strategies aimed at self-management are likely to have the greatest and most cost-effective impact