9,476 research outputs found

    Why Not Africa?

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    Various arguments have been used to explain Sub-Saharan Africa's economic decline. We find that a stress on investments in education as a prerequisite for more rapid growth is misplaced; that greater openness is far from sufficient to insure economic progress; that income inequality and urban bias are not so extreme as to foreclose prospects for more rapid growth and poverty alleviation; and that the constraints imposed by Sub-Saharan Africa's human and physical geography are not core explanations for the regions poor performance. If African countries can establish an institutional environment that enables individuals to gain the rewards of their investments, the alleged barriers to the region's growth should prove surmountable.

    Fourier Path Integral Monte Carlo Method for the Calculation of the Microcanonical Density of States

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    Using a Hubbard-Stratonovich transformation coupled with Fourier path integral methods, expressions are derived for the numerical evaluation of the microcanonical density of states for quantum particles obeying Boltzmann statistics. A numerical algorithmis suggested to evaluate the quantum density of states and illustrated on a one-dimensional model system.Comment: Journal of Chemical Physic

    The Interaction of Rare Gas Atoms with Graphite Surfaces. II. Adatom–adatom Potentials

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    The Gordon-Kim local density method is applied to the calculation of the interaction energy of pairs of neon, argon, and krypton atoms adsorbed on the basal plane of graphite. At the adatom-surface equilibrium separation.the adatom-adatom interaction potentials are found to be from 12% to 20% more repulsive than the gas phase counterparts. At much smaller adatom-surface separations. the adatom-adatom effective potential well depth is only 3% of the gas phase well depth. It is found that the nonadditive contributions to the interaction energy are more important for the smaller rare gas adatoms than for the larger ones. This trend is observed experimentally. It is concluded that rare gas films on graphite are too mobile to be in registry with the substrate

    Computational Study of the Structure and Thermodynamic Properties of Ammonium Chloride Clusters Using a Parallel J-Walking Approach

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    The thermodynamic and structural properties of (NH4_4Cl)n_n clusters, n=3-10 are studied. Using the method of simulated annealing, the geometries of several isomers for each cluster size are examined. Jump-walking Monte Carlo simulations are then used to compute the constant-volume heat capacity for each cluster size over a wide temperature range. To carry out these simulations a new parallel algorithm is developed using the Parallel Virtual Machine (PVM) software package. Features of the cluster potential energy surfaces, such as energy differences among isomers and rotational barriers of the ammonium ions, are found to play important roles in determining the shape of the heat capacity curves.Comment: Journal of Chemical Physics, accepted for publicatio

    Energy estimators for random series path-integral methods

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    We perform a thorough analysis on the choice of estimators for random series path integral methods. In particular, we show that both the thermodynamic (T-method) and the direct (H-method) energy estimators have finite variances and are straightforward to implement. It is demonstrated that the agreement between the T-method and the H-method estimators provides an important consistency check on the quality of the path integral simulations. We illustrate the behavior of the various estimators by computing the total, kinetic, and potential energies of a molecular hydrogen cluster using three different path integral techniques. Statistical tests are employed to validate the sampling strategy adopted as well as to measure the performance of the parallel random number generator utilized in the Monte Carlo simulation. Some issues raised by previous simulations of the hydrogen cluster are clarified.Comment: 15 pages, 1 figure, 3 table

    Heat capacity estimators for random series path-integral methods by finite-difference schemes

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    Previous heat capacity estimators used in path integral simulations either have large variances that grow to infinity with the number of path variables or require the evaluation of first and second order derivatives of the potential. In the present paper, we show that the evaluation of the total energy by the T-method estimator and of the heat capacity by the TT-method estimator can be implemented by a finite difference scheme in a stable fashion. As such, the variances of the resulting estimators are finite and the evaluation of the estimators requires the potential function only. By comparison with the task of computing the partition function, the evaluation of the estimators requires k + 1 times more calls to the potential, where k is the order of the difference scheme employed. Quantum Monte Carlo simulations for the Ne_13 cluster demonstrate that a second order central-difference scheme should suffice for most applications.Comment: 11 pages, 4 figure

    Changes in Earnings Differentials in the 1980s: Concordance, Convergence, Causes, and Consequences

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    This paper analyzes changes in U.S. earnings differentials in the 1980s between race, gender, age, and schooling groups. There are four main sets of results to report. First, the economic position of less-educated workers declined relative to the more-educated among almost all demographic groups. Education-earnings differentials clearly rose for whites, but less clearly for blacks, while employment rate differences associated with education increased more for blacks than for whites. Second, much of the change in education-earnings differentials for specific groups is attributable to measurable economic factors: to changes in the occupational or industrial structure of employment; to changes in average wages within industries; to the fall in the real value of the minimum wage and the tall in union density; and to changes in the relative growth rate of more-educated workers. Third, the earnings and employment position of white females, and to a lesser extent of black females, converged to that of white males in the 1980s, across education groups. At the same time, the economic position of more-educated black males appears to have worsened relative to their white-male counterparts. Fourth, there has been a sizable college-enrollment response to the rising relative wages of college graduates. This response suggests that education-earnings differentials may stop increasing, or even start to decline, in the near future.

    Taming the rugged landscape: production, reordering, and stabilization of selected cluster inherent structures in the X_(13-n)Y_n system

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    We present studies of the potential energy landscape of selected binary Lennard-Jones thirteen atom clusters. The effect of adding selected impurity atoms to a homogeneous cluster is explored. We analyze the energy landscapes of the studied systems using disconnectivity graphs. The required inherent structures and transition states for the construction of disconnectivity graphs are found by combination of conjugate gradient and eigenvector-following methods. We show that it is possible to controllably induce new structures as well as reorder and stabilize existing structures that are characteristic of higher-lying minima. Moreover, it is shown that the selected structures can have experimentally relevant lifetimes.Comment: 12 pages, 14 figures, submitted to J. Chem. Phys. Reasons for replacing a paper: figures 2, 3, 7 and 11 did not show up correctl
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