779 research outputs found

    Predictive coupled-cluster isomer orderings for some Sin{}_nCm{}_m (m,n≤12m, n\le 12) clusters; A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

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    The accurate determination of the preferred Si12C12{\rm Si}_{12}{\rm C}_{12} isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly efficient exciton materials for opto-electronic devices. In order to definitively identify preferred isomeric structures for silicon carbon nano-clusters, highly accurate geometries, energies and harmonic zero point energies have been computed using coupled-cluster theory with systematic extrapolation to the complete basis limit for set of silicon carbon clusters ranging in size from SiC3_3 to Si12C12{\rm Si}_{12}{\rm C}_{12}. It is found that post-MBPT(2) correlation energy plays a significant role in obtaining converged relative isomer energies, suggesting that predictions using low rung density functional methods will not have adequate accuracy. Utilizing the best composite coupled-cluster energy that is still computationally feasible, entailing a 3-4 SCF and CCSD extrapolation with triple-ζ\zeta (T) correlation, the {\it closo} Si12C12{\rm Si}_{12}{\rm C}_{12} isomer is identified to be the preferred isomer in support of previous calculations [J. Chem. Phys. 2015, 142, 034303]. Additionally we have investigated more pragmatic approaches to obtaining accurate silicon carbide isomer energies, including the use of frozen natural orbital coupled-cluster theory and several rungs of standard and double-hybrid density functional theory. Frozen natural orbitals as a way to compute post MBPT(2) correlation energy is found to be an excellent balance between efficiency and accuracy

    Pediatric cancer care in Africa: SIOP Global Mapping Program report on economic and population indicators

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    Introduction Inalignment with the World Health Organization (WHO) Global Initiative for Childhood Cancer (GICC), the International Society of Pediatric Oncology initiated a program to map global pediatric oncology services. As survival rates in Africa are low and data are scant, this continent was mapped first to identify areas with greatest need. Methods Beginning November 2018, an electronic survey was sent to all known stakeholders, followed by email communications and internet searches to verify data. Availability of pediatric oncologists, chemotherapy, surgical expertise, and radiotherapy was correlated with geographic region, World Bank income status, Universal Health Coverage, population < 15 and < 24 years, percentage of gross domestic product spent on healthcare, and Human Development Index (HDI). Results Responses were received from 48/54 African countries. All three treatment modalities were reportedly available in 9/48 countries, whereas seven countries reported no pediatric oncology services. Negative correlations were detected between provision of all three services and geographic region (P = 0.01), younger median population age (P = 0.002), low-income country status (P = 0.045), and lower HDI (P < 0.001). Conclusion This study provides a comprehensive overview of pediatric oncology care in Africa, emphasizing marked disparities between countries: some have highly specialized services, whereas others have no services. A long-term strategy to eliminate disparities in African pediatric cancer care should be aligned with the WHO GICC aims and facilitated by SIOP Africa. Meeting abstracts SIOP maps pediatric oncology services in Africa to address inequalities in childhood cancer services. Geel J, Ranasinghe N, Davidson A, Challinor J, Howard S, Wollaert S, Myezo K, Renner L, Hessissen L, Bouffet E. 51st Annual Congress of the International Society of Paediatric Oncology (SIOP), Lyon, France, October 2019. Pediatric Blood and Cancer Vol 66 S219-S219. Pediatric cancer care in Africa: SIOP Global Mapping Program report on economic and population indicators

    Natural hazards in Australia : sea level and coastal extremes

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    The Australian coastal zone encompasses tropical, sub- and extra-tropical climates and accommodates about 80 % of Australia’s population. Sea level extremes and their physical impacts in the coastal zone arise from a complex set of atmospheric, oceanic and terrestrial processes that interact on a range of spatial and temporal scales and will be modified by a changing climate, including sea level rise. This review details significant progress over recent years in understanding the causes of past and projections of future changes in sea level and coastal extremes, yet a number of research questions, knowledge gaps and challenges remain. These include efforts to improve knowledge on past sea level extremes, integrate a wider range of processes in projections of future changes to sea level extremes, and focus efforts on understanding long-term coastline response from the combination of contributing factors

    The Information Geometry of the Ising Model on Planar Random Graphs

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    It has been suggested that an information geometric view of statistical mechanics in which a metric is introduced onto the space of parameters provides an interesting alternative characterisation of the phase structure, particularly in the case where there are two such parameters -- such as the Ising model with inverse temperature β\beta and external field hh. In various two parameter calculable models the scalar curvature R{\cal R} of the information metric has been found to diverge at the phase transition point βc\beta_c and a plausible scaling relation postulated: R∼∣β−βc∣α−2{\cal R} \sim |\beta- \beta_c|^{\alpha - 2}. For spin models the necessity of calculating in non-zero field has limited analytic consideration to 1D, mean-field and Bethe lattice Ising models. In this letter we use the solution in field of the Ising model on an ensemble of planar random graphs (where α=−1,β=1/2,γ=2\alpha=-1, \beta=1/2, \gamma=2) to evaluate the scaling behaviour of the scalar curvature, and find R∼∣β−βc∣−2{\cal R} \sim | \beta- \beta_c |^{-2}. The apparent discrepancy is traced back to the effect of a negative α\alpha.Comment: Version accepted for publication in PRE, revtex

    The students' voice: Strengths and weaknesses of an undergraduate medical curriculum in a developing country, a qualitative study

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    <p>Abstract</p> <p>Background</p> <p>In medical education, feedback from students' is essential in course evaluation and development. Students at Faculty of Medicine, University of Colombo, Sri Lanka complete a five year medical curriculum comprising of five different streams. We aimed to evaluate the five year medical curriculum at the Faculty of Medicine, University of Colombo, Sri Lanka.</p> <p>Methods</p> <p>A qualitative research was conducted among recent graduates of the faculty. Students' opinions on strengths and weaknesses of the curriculum were collected via questionnaires, which were analysed and classified into common themes. A focus group discussion (FGD) based on these themes was conducted among two student groups, each comprising of a facilitator, two observers and nine students selected as a representative sample from questionnaire respondents. FGDs were conducted using a semi-structured set of open-ended questions to guide participants and maintain consistency between groups. The FGD evaluated the reasons behind students' perceptions, attitudes, emotions and perceived solution. Verbal and non-verbal responses were transcribed and analysed.</p> <p>Results</p> <p>Questionnaire response rate was 82% (153/186). Students highlighted 68 and 135 different responses on strengths and weaknesses respectively. After analysis of both questionnaire and FGD results the following themes emerged: a well organized module system, increased frequency of assessments, a good variety in clinical appointments, lack of specific objectives and assessments at clinical appointments, community and behavioural sciences streams beneficial but too much time allocation, lengthy duration of course, inadequate knowledge provided on pharmacology and pathology.</p> <p>Conclusion</p> <p>We demonstrate how a brief qualitative method could be efficiently used to evaluate a curriculum spanning a considerable length of time. This method provided an insight into the students' attitudes and perceptions of the present faculty curriculum. Qualitative feedback from students highlighted certain key areas that need attention and also possible solutions as perceived by the students'.</p

    Valence and Charge-transfer Optical Properties for Some Si\u3csub\u3en\u3c/sub\u3eC\u3csub\u3em\u3c/sub\u3e (m, n ≤ 12) Clusters: Comparing TD-DFT, Complete-basis-limit EOMCC, and Benchmarks from Spectroscopy

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    Accurate optical characterization of the closo-Si12C12 molecule is important to guide experimental efforts toward the synthesis of nano-wires, cyclic nano-arrays, and related array structures, which are anticipated to be robust and efficient exciton materials for opto-electronic devices. Working toward calibrated methods for the description of closo-Si12C12 oligomers, various electronic structure approaches are evaluated for their ability to reproduce measured optical transitions of the SiC2, Si2Cn (n = 1–3), and Si3Cn (n = 1, 2) clusters reported earlier by Steglich and Maier [Astrophys. J. 801, 119 (2015)]. Complete-basis-limit equation-of-motion coupled-cluster (EOMCC) results are presented and a comparison is made between perturbative and renormalized non-iterative triples corrections. The effect of adding a renormalized correction for quadruples is also tested. Benchmark test sets derived from both measurement and high-level EOMCC calculations are then used to evaluate the performance of a variety of density functionals within the time-dependent density functional theory (TD-DFT) framework. The best-performing functionals are subsequently applied to predict valence TD-DFT excitation energies for the lowest-energy isomers of SinC and Sin−1C7−n (n = 4–6). TD-DFT approaches are then applied to the SinCn (n = 4–12) clusters and unique spectroscopic signatures of closo-Si12C12 are discussed. Finally, various long-range corrected density functionals, including those from the CAM-QTP family, are applied to a charge-transfer excitation in a cyclic (Si4C4)4 oligomer. Approaches for gauging the extent of charge-transfer character are also tested and EOMCC results are used to benchmark functionals and make recommendations

    AN ASSESSMENT OF DIVERSITY AND SOCIO-ECONOMIC STATUS OF KALAMETIYA SANCTUARY

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    Kalametiya Sanctuary is situated on the southeastern coast between Tangalle and YalaNational Park. The area covered by Sanctuary including Kalametiya and Lunama lagoonsis about 712 ha. The Kalametiya Sanctuary is very important for wildlife, particularly forbirds. However, it has been largely destructed and the fishery resources of the lagoonsare also reported to be depleted. The objectives of the study are to assess the floristic andfaunistic diversity of some of the most prominent ecosystems within the Sanctuary and toassess the socio-economic status of the villagers in the neighbourhood. A managementplan has also been prepared with a view to make conservation more efficientSelective sampling was carried out in the 3 distinct ecosystems within the Sanctuary ie.mangroves, Arid Zone forest and the coastal ecosystem. Nine 10 x \0 m plots wereestablished in each ecosystem type. In these, the no. of species, no. of individuals in eachspecies were assessed. DBH was measured in all the trees over 10 em DBH. The saplings,bushes and small sized trees were recorded in plots of 5 x 5m within the large one.Small plots I x 1 m were used to count the no. of ground flora (below 1m height). Faunain the respective ecosystems were also observed. In addition to these biological surveys, aquestionnaire survey was conducted in five Grama Niladhari (GN) Divisions which areinside or at close proximity to the Sanctuary ic. Hunugama, Batata, South Hatagala,Lunama North and Lunama South. Ten families were selected from each GN Divisionwhich were selected randomly. Ecosystems were compared using floristic and faunisticcomposition and ecological indices. From the socio-economic survey the type andmagnitude of pressures to the Sanctuary from the neighbouring communities wereassessed.In total, 72 plant species belonging to 34 families and 3301 individuals were counted inall the plots established in the Sanctuary in the Arid zone forest, mangrove forest andcoastal vegetation ecosystem. The highest important values were shown by Cassiaplnifrans, Sonnaratia caseo/aris and Pandanus foetidus for the three ecosystems.When taken separately, the density of three ecosystems were 105900, 165300 and 59500individuals/ha respectively for arid zone, mangrove forest and coastal vegetation. Thehighest diversity of 1.13 was shown by arid zone forest. Evenness of Arid zone forestand Coastal vegetation was same. The highest dominance was shown by Coastalvegetation In the faunistic survey, 76 bird species were recorded. Questionnaire surveyshowed that the sampled villagers in and around the Kalametiya were having a lowincome, low education level and temporary occupations thus enabling adverse interactionwith the sanctuary status of Kalametiya.Preventing poaching, encroachments and shell mining and increasing the neighboringcommunity can be recommended as probable measures to conserve the sanctuarysuccessfully.
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