988 resultados para Hartree Fock scheme correlation errors


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Using Thomé's procedure, the asymptotic solutions of the Frieman and Book equation for the two-particle correlation in a plasma have been obtained in a complete form. The solution is interpreted in terms of the Lorentz distance. The exact expressions for the internal energy and pressure are evaluated and they are found to be a generalization of the result obtained earlier by others.

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This paper addresses the problem of secure path key establishment in wireless sensor networks that uses the random key predistribution technique. Inspired by the recent proxy-based scheme in [1] and [2], we introduce a fiiend-based scheme for establishing pairwise keys securely. We show that the chances of finding friends in a neighbourhood are considerably more than that of finding proxies, leading to lower communication overhead. Further, we prove that the friendbased scheme performs better than the proxy-based scheme in terms of resilience against node capture.

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We have compared the spectral aerosol optical depth (AOD) and aerosol fine mode fraction (AFMF) derived from Moderate Resolution Imaging Spectroradiometer (MODIS) with those of Aerosol Robotic Network (AERONET) at Kanpur (26.45N, 80.35E), northern India for the pre-monsoon season (March to June, 2001-2005). We found that MODIS systematically overestimates AOD during pre-monsoon season (known to be influenced by dust transport from north-west of India). The errors in AOD were correlated with the MODIS top-of-atmosphere apparent surface reflectance in 2.1 mu m channel (rho*(2.1)). MODIS aerosol algorithm uses p*(2.1) to derive the surface reflectance in visible channels (rho(0.47), rho(0.66)) using an empirical mid IR-visible correlation (rho(0.47) = rho(2.1)/4, rho(0.66) = rho(2.1)/2). The large uncertainty in estimating surface reflectance in visible channels (Delta rho(0.66)+/- 0.04, Delta rho(0.47)+/- 0.02) at higher values of p*(2.1) (p*(2.1) > 0.18) leads to higher aerosol contribution in the total reflected radiance at top-of atmosphere to compensate for the reduced surface reflectance in visible channels and thus leads to overestimation of AOD. This was also reflected in the very low values of AFMF during pre-monsoon whose accuracy depends on the aerosol path radiance in 0.47 and 0.66 mu m channels and aerosol models. The errors in AOD were also high in the scattering angle range 110 degrees-140 degrees, where the effect of dust non-spherity on its optical properties is significant. The direct measurements of spectral surface reflectance are required over the Indo-Gangetic basin in order to validate the mid IR-visible relationship. MODIS aerosol models should also be modified to incorporate the effect of non-spherity of dust aerosols.

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In this paper a mixed-split scheme is proposed in the context of 2-D DPCM based LSF quantization scheme employing split vector product VQ mechanism. Experimental evaluation shows that the new scheme is successfully being able to show better distortion performance than existing safety-net scheme for noisy channel even at considerably lower search complexity, by efficiently exploiting LSF trajectory behavior across the consecutive speech frames.

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We have presented a new low dissipative kinetic scheme based on a modified Courant Splitting of the molecular velocity through a parameter φ. Conditions for the split fluxes derived based on equilibrium determine φ for a one point shock. It turns out that φ is a function of the Left and Right states to the shock and that these states should satisfy the Rankine-Hugoniot Jump condition. Hence φ is utilized in regions where the gradients are sufficiently high, and is switched to unity in smooth regions. Numerical results confirm a discrete shock structure with a single interior point when the shock is aligned with the grid.

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A simple firing delay circuit for 3-φ fully controlled bridge using a phase locked loop is described. The circuit uses very few components and is an improved scheme over the existing methods. The use of this circuit in three-phase thyristor converters and 'circulating current free' mode dual converters is described.

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We derive the thermal correlators for twisted quantum fields on noncommutative spacetime. We show that the thermal expectation value of the number operator is same as in commutative spacetime, but that higher correlators are sensitive to the noncommutativity parameters phi(mu nu).

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The static response of thin, wrinkled membranes is studied using both a tension field approximation based on plane stress conditions and a 3D nonlinear elasticityformulation, discretized through 8-noded Cosserat point elements. While the tension field approach only obtains the wrinkled/slack regions and at best a measure of the extent of wrinkliness, the 3D elasticity solution provides, in principle, the deformed shape of a wrinkled/slack membrane. However, since membranes barely resist compression, the discretized and linearized system equations via both the approaches are ill-conditioned and solutions could thus be sensitive to discretizations errors as well as other sources of noises/imperfections. We propose a regularized, pseudo-dynamical recursion scheme that provides a sequence of updates, which are almost insensitive to theregularizing term as well as the time step size used for integrating the pseudo-dynamical form. This is borne out through several numerical examples wherein the relative performance of the proposed recursion scheme vis-a-vis a regularized Newton strategy is compared. The pseudo-time marching strategy, when implemented using 3D Cosserat point elements, also provides a computationally cheaper, numerically accurate and simpler alternative to that using geometrically exact shell theories for computing large deformations of membranes in the presence of wrinkles. (C) 2010 Elsevier Ltd. All rights reserved.

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A decade ago, Budakian and Putterman [Phys. Rev. Lett. 85, 1000 (2000)] ascribed friction to the formation of bonds arising from contact charging when a gold tip of a surface force apparatus was dragged on polymethylmethacrylate surface. We propose a stick-slip model that captures the observed correlation between stick-slip events and charge transfer, and the lack of dependence of the scale factor connecting the force jumps and charge transfer on normal load. Here, stick-slip dynamics arises as a competition between the viscoelastic and plastic deformation time scales and that due to the pull speed with contact charging playing a minor role. Our model provides an alternate basis for explaining most experimental results without ascribing friction to contact charging.

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In this paper, we propose a training-based channel estimation scheme for large non-orthogonal space-time block coded (STBC) MIMO systems.The proposed scheme employs a block transmission strategy where an N-t x N-t pilot matrix is sent (for training purposes) followed by several N-t x N-t square data STBC matrices, where Nt is the number of transmit antennas. At the receiver, we iterate between channel estimation (using an MMSE estimator) and detection (using a low-complexity likelihood ascent search (LAS) detector) till convergence or for a fixed number of iterations. Our simulation results show that excellent bit error rate and nearness-to-capacity performance are achieved by the proposed scheme at low complexities. The fact that we could show such good results for large STBCs (e.g., 16 x 16 STBC from cyclic division algebras) operating at spectral efficiencies in excess of 20 bps/Hz (even after accounting for the overheads meant for pilot-based channel estimation and turbo coding) establishes the effectiveness of the proposed scheme.

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The density-wave theory of Ramakrishnan and Yussouff is extended to provide a scheme for describing dislocations and other topological defects in crystals. Quantitative calculations are presented for the order-parameter profiles, the atomic configuration, and the free energy of a screw dislocation with Burgers vector b=(a/2, a/2, a/2) in a bcc solid. These calculations are done using a simple parametrization of the direct correlation function and a gradient expansion. It is conventional to express the free energy of the dislocation in a crystal of size R as (λb2/4π)ln(αR/‖b‖), where λ is the shear elastic constant, and α is a measure of the core energy. Our results yield for Na the value α≃1.94a/(‖c1’’‖)1/2 (≃1.85) at the freezing temperature (371 K) and α≃2.48a/(‖c1’’‖)1/2 at 271 K, where c1’’ is the curvature of the first peak of the direct correlation function c(q). Detailed results for the density distribution in the dislocation, particularly the core region, are also presented. These show that the dislocation core has a columnar character. To our knowledge, this study represents the first calculation of dislocation structure, including the core, within the framework of an order-parameter theory and incorporating thermal effects.

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A two dimensional correlation experiment for the measurement of short and long range homo- and hetero- nuclear residual dipolar couplings (RDCs) from the broad and featureless proton NMR spectra including C-13 satellites is proposed. The method employs a single natural abundant C-13 spin as a spy nucleus to probe all the coupled protons and permits the determination of RDCs of negligible strengths. The technique has been demonstrated for the study of organic chiral molecules aligned in chiral liquid crystal, where additional challenge is to unravel the overlapped spectrum of enantiomers. The significant advantage of the method is demonstrated in better chiral discrimination using homonuclear RDCs as additional parameters. (C) 2010 Elsevier B.V. All rights reserved.

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The Pippard-Janovec relations are derived for correlating the anomalous elastic coefficient and the anomalous specific heat near the phase transitions of ferroelectric crystals. These relations are verified in the case of ferroelectric triglycine selenate crystal.