Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4s

The origin of magnetic coupling in KNiF3 and K2 NiF4 is studied by means of an ab initio cluster model approach. By a detailed study of the mapping between eigenstates of the exact nonrelativistic and spin model Hamiltonians it is possible to obtain the magnetic coupling constant J and to compare ab initio cluster-model values with those resulting from ab initio periodic Hartree-Fock calculations. This comparison shows that J is strongly determined by two-body interactions; this is a surprising and unexpected result. The importance of the ligands surrounding the basic metal-ligand-metal interacting unit is reexamined by using two different partitions and the constrained space orbital variation method of analysis. This decomposition enables us to show that this effect is basically environmental. Finally, dynamical electronic correlation effects have found to be critical in determining the final value of the magnetic coupling constant.

Some aspects of history of Indian mathematics in 18th and early 19th century

This thesis is an attempt to throw light on the works of some Indian Mathematicians who wrote in Arabic or persian In the Introductory Chapter on outline of general history of Mathematics during the eighteenth Bnd nineteenth century has been sketched. During that period there were two streams of Mathematical activity. On one side many eminent scholers, who wrote in Sanskrit, .he l d the field as before without being much influenced by other sources. On the other side there were scholars whose writings were based on Arabic and Persian text but who occasionally drew upon other sources also.

Analytical Study of Typographical Errors in OPACS and Corrective Measures

The present study is an attempt to highlight the problem of typographical errors in OPACS. The errors made while typing catalogue entries as well as importing bibliographical records from other libraries exist unnoticed by librarians resulting the non-retrieval of available records and affecting the quality of OPACs. This paper follows previous research on the topic mainly by Jeffrey Beall and Terry Ballard. The word “management” was chosen from the list of likely to be misspelled words identified by previous research. It was found that the word is wrongly entered in several forms in local, national and international OPACs justifying the observations of Ballard that typos occur in almost everywhere. Though there are lots of corrective measures proposed and are in use, the study asserts the fact that human effort is needed to get rid of the problem. The paper is also an invitation to the library professionals and system designers to construct a strategy to solve the issue

Analytical Study of Typographical Errors in OPACS and Corrective Measures

The present study is an attempt to highlight the problem of typographical errors in OPACS. The errors made while typing catalogue entries as well as importing bibliographical records from other libraries exist unnoticed by librarians resulting the non-retrieval of available records and affecting the quality of OPACs. This paper follows previous research on the topic mainly by Jeffrey Beall and Terry Ballard. The word “management” was chosen from the list of likely to be misspelled words identified by previous research. It was found that the word is wrongly entered in several forms in local, national and international OPACs justifying the observations of Ballard that typos occur in almost everywhere. Though there are lots of corrective measures proposed and are in use, the study asserts the fact that human effort is needed to get rid of the problem. The paper is also an invitation to the library professionals and system designers to construct a strategy to solve the issue

Tomographic imaging of molecular orbitals in length and velocity form

Recently Itatani et al. [Nature 432, 876 (2004)] introduced the new concept of molecular orbital tomography, where high harmonic generation (HHG) is used to image electronic wave functions. We describe an alternative reconstruction form, using momentum instead of dipole matrix elements for the electron recombination step in HHG. We show that using this velocity-form reconstruction, one obtains better results than using the original length-form reconstruction. We provide numerical evidence for our claim that one has to resort to extremely short pulses to perform the reconstruction for an orbital with arbitrary symmetry. The numerical evidence is based on the exact solution of the time-dependent Schrödinger equation for 2D model systems to simulate the experiment. Furthermore we show that in the case of cylindrically symmetric orbitals, such as the N2 orbital that was reconstructed in the original work, one can obtain the full 3D wave function and not only a 2D projection of it. Vor kurzem führten Itatani et al. [Nature 432, 876 (2004)] das Konzept der Molelkülorbital-Tomographie ein. Hierbei wird die Erzeugung hoher Harmonischer verwendet, um Bilder von elektronischen Wellenfunktionen zu gewinnen. Wir beschreiben eine alternative Form der Rekonstruktion, die auf Impuls- statt Dipol-Matrixelementen für den Rekombinationsschritt bei der Erzeugung der Harmonischen basiert. Wir zeigen, dass diese "Geschwindigkeitsform" der Rekonstruktion bessere Ergebnisse als die ursprüngliche "Längenform" liefert. Wir zeigen numerische Beweise für unsere Behauptung, dass man zu extrem kurzen Laserpulsen gehen muss, um Orbitale mit beliebiger Symmetrie zu rekonstruieren. Diese Ergebnisse basieren auf der exakten Lösung der zeitabhängigen Schrödingergleichung für 2D-Modellsysteme. Wir zeigen ferner, dass für zylindersymmetrische Orbitale wie das N2-Orbital, welches in der oben zitierten Arbeit rekonstruiert wurde, das volle 3D-Orbital rekonstruiert werden kann, nicht nur seine 2D-Projektion.

Freedom of the Press in Canada and Colombia

A general conclusion of the history of the Canadian press demonstrates that state was built after true journalism had been consolidating. Press development went along with economic progress and this was achievable, in great measure, because of the manner colonization took place in North America. This aided the de facto nationalization of press freedom in Canada. In Colombia, on the contrary, wealth concentration and the Spanish failure to build an economic market, resulted in a constant political instability from the time the Independence War. Legal and the de facto nationalization would be attained only at the end of the twentieth century, though journalism was already part of the institutional arrangement.-----Una conclusión general de la historia de la prensa canadiense demuestra que el estado actual se construyó después de haberse consolidado el verdadero periodismo. El desarrollo de la prensa fue paralelo al progreso económico y se pudo lograr en gran medida por la forma en que se colonizó Norteamérica. Esto ayudó a la nacionalización de facto de la libertad de prensa en Canadá. En Colombia, por el contrario, la concentración de la riqueza y el hecho de que los españoles no construyeran un mercado económico produjeron una inestabilidad política constante desde la época de la Guerra por la Independencia. La nacionalización legal y de hecho solamente se logró a finales del siglo XX, aunque el periodismo ya era parte de la organización institucional. 

Agricultural Policy and Nest Success of Prairie Ducks in Canada and the United States

The Prairie Pothole Region of North America has been modified by agriculture during the past 100 yr, resulting in habitat loss, fragmentation, and degradation that have reduced the abundance and productivity of many wildlife species. The 1985 U.S. Farm Bill provided economic incentives to agriculture that are considered by many to be beneficial to nesting waterfowl and other wildlife. Canada has not experienced an equally comprehensive legislative initiative, which would seem to indicate that benefits to waterfowl in Canada should lag behind those in the United States. However, with the removal of some agricultural subsidies in Canada during the 1990s, the amount of perennial cover in the Canadian prairies increased to levels similar to those of the 1970s. Therefore, it is unclear whether and how the U.S. and Canadian prairies might differ with regard to habitat quality for nesting waterfowl. We used historical and contemporary data to compare temporal trends in duck nest success between the United States and Canada and to assess how mean nest success varied with proportion of cropland and wetland density. The data best supported models with nonlinear temporal trends that varied between the two countries and suggested that mean nest success in Canada declined from its high point in 1930s and remained below the long-term value of 0.16 until the end of the time series in 2005. Mean nest success in the United States also declined from its high point in the 1930s, but increased to above the long-term value of 0.25 during the early 2000s. Mean nest success varied negatively with proportion of cropland in both the United States and Canada. Mean nest success was positively correlated with pond density at Canadian sites, but showed only a weak association with pond density at U.S. sites. All models explained the low proportions of the variation in nest success, suggesting that unmeasured factors such as the abundance and identity of nest predators may have strong effects on nest success. Nonetheless, these results support earlier suggestions that agricultural policy that encourages permanent cover positively influences duck reproductive success. We also found that, for reasons that are not entirely clear, nest success for the same intensity of row cropping was generally higher in the United States than in Canada. Further research is required to elucidate the exact nature of the composition, size, and distribution of permanent cover that coincides with greater average nest success by dabbling ducks in the United States. In addition, the data suggest that the benefits that might accrue from increases in the amount of perennial cover in Canada would be better realized if these efforts are accompanied by strong measures to conserve wetlands.

A new set of orthogonal patterns in weather and climate: Optimally interpolated patterns.

A new spectral-based approach is presented to find orthogonal patterns from gridded weather/climate data. The method is based on optimizing the interpolation error variance. The optimally interpolated patterns (OIP) are then given by the eigenvectors of the interpolation error covariance matrix, obtained using the cross-spectral matrix. The formulation of the approach is presented, and the application to low-dimension stochastic toy models and to various reanalyses datasets is performed. In particular, it is found that the lowest-frequency patterns correspond to largest eigenvalues, that is, variances, of the interpolation error matrix. The approach has been applied to the Northern Hemispheric (NH) and tropical sea level pressure (SLP) and to the Indian Ocean sea surface temperature (SST). Two main OIP patterns are found for the NH SLP representing respectively the North Atlantic Oscillation and the North Pacific pattern. The leading tropical SLP OIP represents the Southern Oscillation. For the Indian Ocean SST, the leading OIP pattern shows a tripole-like structure having one sign over the eastern and north- and southwestern parts and an opposite sign in the remaining parts of the basin. The pattern is also found to have a high lagged correlation with the Niño-3 index with 6-months lag.

Imagining migration: Placing children's understanding of 'moving house' in Malawi and Lesotho

Research pertaining to children's geographies has mainly focused on children's physical experiences of space, with their 'imagined geographies' receiving far less attention. The few studies of children's imagined geographies that exist tend to focus on children's national identities and their understanding of distant places. However, children's lives are not necessarily static and they often move between places. Research has not so far considered children's images of these transitional spaces or how such images are constructed. Through an examination of over 800 thematic drawings and stories, regarding 'moving house, produced by children aged 10-17 years in urban and rural communities of Lesotho and Malawi, this paper explores southern African children's representations of migration. The research considers how ideas of migration are culturally-constructed based on notions of family, home and kinship, particularly in relation to the fluid family structure characteristic of most southern African societies. The results suggest that most children imagine migration as a household rather than an individual process.. rarely including micro -migrations between extended family households in their drawings. Further, children's images of migration are place-rooted in everyday life experiences. Their representations concentrate on the reasons for migration, both negative and positive, which are specifically related to their local social and environmental situations and whether house moves take place locally or over longer distances. The paper concludes by exploring the implications of these conceptualisations of moving house for children's contemporary migration experiences, particularly in light of changing family structures due to the effects of the HIV/AIDS pandernic. (c) 2005 Elsevier Ltd. All rights reserved

Dating the onset of cereal cultivation in Britain and Ireland: the evidence from charred cereal grains

When does Neolithic life begin in Britain? The author gathered up the current evidence for radiocarbon-dated first use of cereals, distinguishing between dates from charcoal in contexts with cereals, and dates from the charred grains themselves. The charred grains begin to appear around 4000 cal BC and become prominent in settlements between 3800 and 3000 cal BC This correlates well with the appearance of megalithic tombs (3800-3500 cal BC) and argues for a relatively rapid adoption of the Neolithic package during an experimental phase of two centuries, 4000-3800 cal BC. The early cereals reported in the pollen record (from 5000 BC) are attributed to wild species.

Distribution and mobility of trace elements in soils and vegetation around the mining and smelting areas of Tharsis, Riotinto and Huelva, Iberian Pyrite Belt, SW Spain

Trace elements may present an environmental hazard in the vicinity of mining and smelting activities. However, the factors controlling their distribution and transfer within the soil and vegetation systems are not always well defined. Total concentrations of up to 15,195 mg center dot kg (-1) As, 6,690 mg center dot kg(-1) Cu, 24,820 mg center dot kg(-1) Pb and 9,810 mg center dot kg(-1) Zn in soils, and 62 mg center dot kg(-1) As, 1,765 mg center dot kg(-1) Cu, 280 mg center dot kg(-1) Pb and 3,460 mg center dot kg (-1) Zn in vegetation were measured. However, unusually for smelters and mines of a similar size, the elevated trace element concentrations in soils were found to be restricted to the immediate vicinity of the mines and smelters (maximum 2-3 km). Parent material, prevailing wind direction, and soil physical and chemical characteristics were found to correlate poorly with the restricted trace element distributions in soils. Hypotheses are given for this unusual distribution: (1) the contaminated soils were removed by erosion or (2) mines and smelters released large heavy particles that could not have been transported long distances. Analyses of the accumulation of trace elements in vegetation (median ratios: As 0.06, Cu 0.19, Pb 0.54 and Zn 1.07) and the percentage of total trace elements being DTPA extractable in soils (median percentages: As 0.06%, Cu 15%, Pb 7% and Zn 4%) indicated higher relative trace element mobility in soils with low total concentrations than in soils with elevated concentrations.

Effect of pH on the development of acidic sites in clayey and sandy loam Oxisol from the Cerrado Region, Brazil

Titration curves were determined for soil from horizon samples of a clayey and a sandy loam Oxisol by (a) adding NaOH to soil suspensions and (b) incubating moist soils with Ca(OH)(2). The organic fraction was primarily responsible for buffering in both soils. Humic acids were more important than fulvic acids in buffering against NaOH additions. With Ca(OH)(2), greater buffer capacities were found due to carboxyl sites, primarily on fulvic acids, becoming complexed with Ca2+ so that in the clay soil humic and fulvic acids were equally important as buffering components while fulvic acids were more important in the sandy loam soil. The buffer capacity of organic matter against Ca(OH)(2) additions was 1.1 mol(c) kg(-1) pH(-1). In the incubated soils, exchangeable cations were also determined and changes in the amounts of exchangeable and non-exchangeable Ca2+ acidity and effective cation exchange capacity were calculated. Up to half the added Ca2+ became complexed and was nonexchangeable. Aluminum complexed by organic matter appears to be an important buffering component, together with non exchangeable H+. With the increase of pH the dissociated sites from the carboxyl groups could complex Ca2+. (c) 2005 Elsevier B.V. All rights reserved.

Imagining migration: Placing children's understanding of 'moving house' in Malawi and Lesotho

Research pertaining to children's geographies has mainly focused on children's physical experiences of space, with their 'imagined geographies' receiving far less attention. The few studies of children's imagined geographies that exist tend to focus on children's national identities and their understanding of distant places. However, children's lives are not necessarily static and they often move between places. Research has not so far considered children's images of these transitional spaces or how such images are constructed. Through an examination of over 800 thematic drawings and stories, regarding 'moving house, produced by children aged 10-17 years in urban and rural communities of Lesotho and Malawi, this paper explores southern African children's representations of migration. The research considers how ideas of migration are culturally-constructed based on notions of family, home and kinship, particularly in relation to the fluid family structure characteristic of most southern African societies. The results suggest that most children imagine migration as a household rather than an individual process.. rarely including micro -migrations between extended family households in their drawings. Further, children's images of migration are place-rooted in everyday life experiences. Their representations concentrate on the reasons for migration, both negative and positive, which are specifically related to their local social and environmental situations and whether house moves take place locally or over longer distances. The paper concludes by exploring the implications of these conceptualisations of moving house for children's contemporary migration experiences, particularly in light of changing family structures due to the effects of the HIV/AIDS pandernic. (c) 2005 Elsevier Ltd. All rights reserved

An overview of Earth’s global electric circuit and atmospheric conductivity

The Earth’s global atmospheric electric circuit depends on the upper and lower atmospheric boundaries formed by the ionosphere and the planetary surface. Thunderstorms and electrified rain clouds drive a DC current (∼1 kA) around the circuit, with the current carried by molecular cluster ions; lightning phenomena drive the AC global circuit. The Earth’s near-surface conductivity ranges from 10−7 S m−1 (for poorly conducting rocks) to 10−2 S m−1 (for clay or wet limestone), with a mean value of 3.2 S m−1 for the ocean. Air conductivity inside a thundercloud, and in fair weather regions, depends on location (especially geomagnetic latitude), aerosol pollution and height, and varies from ∼10−14 S m−1 just above the surface to 10−7 S m−1 in the ionosphere at ∼80 km altitude. Ionospheric conductivity is a tensor quantity due to the geomagnetic field, and is determined by parameters such as electron density and electron–neutral particle collision frequency. In the current source regions, point discharge (coronal) currents play an important role below electrified clouds; the solar wind-magnetosphere dynamo and the unipolar dynamo due to the terrestrial rotating dipole moment also apply atmospheric potential differences. Detailed measurements made near the Earth’s surface show that Ohm’s law relates the vertical electric field and current density to air conductivity. Stratospheric balloon measurements launched from Antarctica confirm that the downward current density is ∼1 pA m−2 under fair weather conditions. Fortuitously, a Solar Energetic Particle (SEP) event arrived at Earth during one such balloon flight, changing the observed atmospheric conductivity and electric fields markedly. Recent modelling considers lightning discharge effects on the ionosphere’s electric potential (∼+250 kV with respect to the Earth’s surface) and hence on the fair weather potential gradient (typically ∼130 V m−1 close to the Earth’s surface. We conclude that cloud-to-ground (CG) lightning discharges make only a small contribution to the ionospheric potential, and that sprites (namely, upward lightning above energetic thunderstorms) only affect the global circuit in a miniscule way. We also investigate the effects of mesoscale convective systems on the global circuit.

A comparison of energy use in conventional and integrated arable farming systems in the UK

The LINK Integrated Farming Systems (LINK-IFS) Project (1992-1997) was setup to compare conventional and integrated arable farming systems (IAFS), concentrating on practical feasibility and economic viability, but also taking into account the level of inputs used and environmental impact. As part of this, an examination into energy use within the two systems was also undertaken. This paper presents the results from that analysis. The data used is from the six sites within the LINK-IFS Project, spread through the arable production areas of England and from the one site in Scotland, covering the 5 years of the project. The comparison of the energy used is based on the equipment and inputs used to produce I kg of each crop within the conventional and integrated rotations, and thereby the overall energy used for each system. The results suggest that, in terms of total energy used, the integrated system appears to be the most efficient. However, in terms of energy efficiency, energy use per kilogram of output, the results are less conclusive. (C) 2003 Elsevier Science B.V. All rights reserved.