School of Chemistry - Research Publications

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Start date: 2002 × End date: 2002 × Type: Journal Article ×

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    Relativistic density functional theory using Gaussian basis sets
    Quiney, HM ; Belanzoni, P (AMER INST PHYSICS, 2002-09-22)
    A four-component formulation of relativistic density functional theory is presented together with the details of its implemention using a G-spinor basis set. The technical features of this approach are compared to those found in the nonrelativistic density functional theory of quantum chemistry which employ scalar basis sets of Gaussian-type functions. Numerical results of the G-spinor expansion method are presented for a sequence of closed-shell atoms, and for a selection of relativistic density functionals, and are compared with finite difference benchmarks.
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    Refractive-index profiling of optical fibers with axial symmetry by use of quantitative phase microscopy
    Roberts, A ; Ampem-Lassen, E ; Barty, A ; Nugent, KA ; Baxter, GW ; Dragomir, NM ; Huntington, ST (OPTICAL SOC AMER, 2002-12-01)
    The application of quantitative phase microscopy to refractive-index profiling of optical fibers is demonstrated. Phase images of axially symmetric optical fibers immersed in index-matching fluid are obtained, and the inverse Abel transform is used to obtain the radial refractive-index profile. This technique is straightforward, nondestructive, repeatable, and accurate. Excellent agreement, to within approximately 0.0005, between this method and the index profile obtained with a commercial profiler is obtained.