3,158 research outputs found

    Atomic Compton profiles within different exchange-only theories

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    The Impulse Compton Profiles (CP's) J(q) and the - expectation values for some inert gas atoms (He-Kr) are computed and compared within the Harbola-Sahni (HS), Hartree-Fock(HF) theories and a Self Interaction Corrected (SIC) density functional model. The Compton profiles for excited states of Helium atom are also calculated. While the calculated CP's are found to generally agree, they differ slightly from one another for small values of the Compton parameter q and are in good agreement for large q values. The expectation values within the three theories are also found to be comparable. The HS formalism seem to mimic HF reasonably well in the momentum space, establishing the logical consistency of the former.Comment: 15 page

    Economic Efficiency, Distributive Justice and Liability Rules

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    The main purpose of this paper is to show that the conflict between the considerations involving economic efficiency and those of distributive justice, in the context of assigning liability, is not as sharp as is generally believed to be the case. The condition of negligence liability which characterizes efficiency in the context of liability rules has an all-or-none character. Negligence liability requires that if one party is negligent and the other is not then the liability for the entire accident loss must fall on the negligent party. Thus within the framework of standard liability rules efficiency requirements preclude any non-efficiency considerations in cases where one party is negligent and the other is not. In this paper it is shown that a part of accident loss plays no part in providing appropriate incentives to the parties for taking due care and can therefore be apportioned on non-efficiency considerations. For a systematic analysis of efficiency requirements, a notion more general than that of a liability rule, namely, that of a decomposed liability rule is introduced. A complete characterization of efficient decomposed liability rules is provided in the paper. One important implication of the characterization theorems of this paper is that by decomposing accident loss in two parts, the scope for distributive considerations can be significantly broadened without sacrificing economic efficiency.Tort Law, Liability Rules, Decomposed liability Rules, Efficient Rules, Nash Equilibria, Negligence Liability, Distributive Justice

    Silver(I) Complexation of (Poly)aromatic Ligands. Structural Criteria for Depth Penetration into \u3cem\u3ecis\u3c/em\u3e-Stilbenoid Cavities

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    Silver(I) complexes with aromatic donors are thoroughly analyzed (with aid of the Cambridge Crystallographic Database) to identify the basic structural factors inherent to the bonding of an arene ligand. Most strikingly, the distance parameter d (which simply measures the normal separation of Ag from the mean aromatic plane) is singularly invariant at d = 2.41 ± 0.05 Å for all silver/arene complexes, independent of the hapticity (η1 or η2), hybridization, or multiple coordination. As such, a systematic series of stilbenoid ligands has been successfully designed to precisely modulate the penetration of silver(I) into the ligand cleft, and a multicentered poly(arene) ligand (X) designed to form a one-dimensional assembly of Ag/arene units. Simply stated, the depth penetration of silver(I) into the aromatic cavities of various cis-stilbenoid donors can be precisely predicted with a single parameter Îł that measures the separation of the two cofacial aryl groups comprising the cleft. This simple geometric consideration must be taken into account in any successful design of novel (poly)aromatic ligands for silver(I) complexation to constitute new molecular architectures

    Charge-Transfer Probes for Molecular Recognition \u3cem\u3evia\u3c/em\u3e Steric Hindrance in Donor-Acceptor Pairs

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    Molecular association of various aromatic hydrocarbons (D, including sterically hindered donors) with a representative group of diverse acceptors (A = quinone, trinitrobenzene, tetracyanoethylene, tropylium, tetranitromethane, and nitrosonium) is visually apparent in solution by the spontaneous appearance of distinctive colors. Spectral (UV−vis) analyses of the colored solutions reveal their charge-transfer origin (λCT), and they provide quantitative information of the intermolecular association in the form of the KDA and ΔCT values for the formation and visualization, respectively, of different [D,A] complexes. Importantly, such measurements establish charge-transfer absorption to be a sensitive analytical tool for evaluating the steric inhibition of donor−acceptor association. For example, the steric differences among various hindered aromatic donors in their association with quinone are readily dramatized in their distinctive charge-transfer (color) absorptions and verified by X-ray crystallography of the charge-transfer crystals and/or QUANTA molecular modeling calculations of optimum intermolecular separations allowed by van der Waals contacts

    Growth and Characterization of Fe0.95Se0.6Te0.4 Single Crystal

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    In this paper we present the single crystal growth of Fe0.95Se0.6Te0.4 high TC superconducting sample by the modified Bridgman technique. The x-ray diffraction pattern shows the single crystal nature of the sample, as only (00l) peaks are detectable. The stoichiometric composition has been verified by energy dispersive x-ray analysis. The superconducting transition temperature at 14 K was confirmed through DC magnetization (ZFC-FC) and resistivity measurements. By analyzing the isothermal M-H curves, we determined the value of H_c1 (0) ~360 Oe by extrapolating the data. The temperature coefficient of resistivity obtained using the power law fitting was found to be 0.6. The obtained Raman spectra at room temperature can be interpreted with the tetragonal crystal structure and space group P4/nmm.Comment: conference pape

    Perceptions and Perspectives

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    Strategic partnerships have, in fact, become a key foreign policy instrument in a multipolar world and are increasingly perceived as both a process and a format in which to conduct foreign relations with major players. A variety of adjectives have been used to describe the India-EU strategic partnership since its establishment in 2004. This paper first discusses the nature of the concept of strategic partnership, and examines European and Indian perceptions of this concept. It then evaluates the key challenges confronting the decade- long India-EU strategic partnership, before making a number of concluding observations

    Production and Marketing of Agricultural Crops in Rural Areas of Madhya Pradesh

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    The production and marketing of agricultural crops play an important role of developing countries. It is also accelerating the pace of economic development. It is not only an economic link between the producers and consumers; it maintains a balance between demand and supply. The study examined the production and marketing of agricultural crops through rural markets and the price structure of different crops in rural markets of the Hoshangaabad District. It also highlighted the composition and structure of sellers and traders engaged in the marketing process. Local rural markets are the best option for the marginal and small farmers to dispose of their perishable surplus to get quick returns. Due to the lack of good infrastructural facilities in the study area, most of the farmers prefer local rural markets instead of going to the specialized markets or near-by town area. The average price of the individual crops also varies from market to market due to the various socio-spatial factors. The average participation of crop producer sellers have been recorded high due to the main Mandi is well connected to rural areas, private warehouse available, selling in Madhya Pradesh co-operative society where every 20 km radius in the study area. Keywords: Production, Marketing, Agricultural crops, Rural markets DOI: 10.7176/JMCR/68-03 Publication date:May 31st 202
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