98,757 research outputs found

    Accuracy of Quantum Monte Carlo Methods for Point Defects in Solids

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    Quantum Monte Carlo approaches such as the diffusion Monte Carlo (DMC) method are among the most accurate many-body methods for extended systems. Their scaling makes them well suited for defect calculations in solids. We review the various approximations needed for DMC calculations of solids and the results of previous DMC calculations for point defects in solids. Finally, we present estimates of how approximations affect the accuracy of calculations for self-interstitial formation energies in silicon and predict DMC values of 4.4(1), 5.1(1) and 4.7(1) eV for the X, T and H interstitial defects, respectively, in a 16(+1)-atom supercell

    Pair-Hopping Mechanism for Layered Superconductors

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    We propose a possible charge fluctuation effect expected in layered superconducting materials. In the multireference density functional theory, relevant fluctuation channels for the Josephson coupling between superconducting layers include the interlayer pair hopping derived from the Coulomb repulsion. When interlayer single-electron tunneling processes are irrelevant in the Kohn-Sham electronic band structure calculation, the two-body effective interactions stabilize a superconducting phase. This state is also regarded as a valence-bond solid in a bulk electronic state. The hidden order parameters coexist with the superconducting order parameter when the charging effect of a layer is comparable to the pair hopping. Relevant materials structures favorable for the pair-hopping mechanism are discussed.Comment: 24 pages, 2 figures, to be published in J. Phys. Soc. Jpn. (2009

    Investigation of the transverse beam dynamics in the thermal wave model with a functional method

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    We investigated the transverse beam dynamics in a thermal wave model by using a functional method. It can describe the beam optical elements separately with a kernel for a component. The method can be applied to general quadrupole magnets beyond a thin lens approximation as well as drift spaces. We found that the model can successfully describe the PARMILA simulation result through an FODO lattice structure for the Gaussian input beam without space charge effects.Comment: 12 pages, 6 figure

    Efficient Simulation of Quantum Systems by Quantum Computers

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    We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a conventional simulation of the corresponding classical system. We then sketch how results of interest, like the energy spectrum of a system, can be obtained. We also indicate that ultimately the simulation of quantum field theory might be possible on large quantum computers. We want to demonstrate that in principle various interesting things can be done. Actual applications will have to be worked out in detail also depending on what kind of quantum computer may be available one day...Comment: 8 pages, latex, submitted to Phys. Rev. A, revised version has about double length of original and contains new ideas, e.g. how to obtain the spectrum of a quantum syste

    Reconstruction of annular bi-layered media in cylindrical waveguide section

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    A radial transverse resonance model for two cylindrical concentric layers with different complex dielectric constants is presented. An inverse problem with four unknowns - 3 physical material parameters and one dimensional dielectric layer thickness parameter- is solved by employing TE110 and TE210 modes with different radial field distribution. First a Newton-Raphson algorithm is used to solve a least square problem with a Lorentzian function (as resonance model and "measured" data generator). Then found resonance frequencies and quality factors are used in a second inverse Newton-Raphson algorithm that solves four transverse resonance equations in order to get four unknown parameters. The use of TE110 and TE210 models offers one dimensional radial tomographic capability. An open ended coax quarter-wave resonator is added to the sensor topology, and the effect on the convergence is investigated

    A Radial-Dependent Dispersive Finite-Difference Time-Domain Method for the Evaluation of Electromagnetic Cloaks

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    A radial-dependent dispersive finite-difference time-domain (FDTD) method is proposed to simulate electromagnetic cloaking devices. The Drude dispersion model is applied to model the electromagnetic characteristics of the cloaking medium. Both lossless and lossy cloaking materials are examined and their operating bandwidth is also investigated. It is demonstrated that the perfect "invisibility" from electromagnetic cloaks is only available for lossless metamaterials and within an extremely narrow frequency band.Comment: 18 pages, 10 figure
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