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User Guide for the Discrete Dipole Approximation Code DDSCAT 7.3

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 Added by Bruce T. Draine
 Publication date 2013
  fields Physics
and research's language is English




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DDSCAT 7.3 is an open-source Fortran-90 software package applying the discrete dipole approximation to calculate scattering and absorption of electromagnetic waves by targets with arbitrary geometries and complex refractive index. The targets may be isolated entities (e.g., dust particles), but may also be 1-d or 2-d periodic arrays of target unit cells, allowing calculation of absorption, scattering, and electric fields around arrays of nanostructures. The theory of the DDA and its implementation in DDSCAT is presented in Draine (1988) and Draine & Flatau (1994), and its extension to periodic structures in Draine & Flatau (2008), and efficient near-field calculations in Flatau & Draine (2012). DDSCAT 7.3 includes support for MPI, OpenMP, and the Intel Math Kernel Library (MKL). DDSCAT supports calculations for a variety of target geometries. Target materials may be both inhomogeneous and anisotropic. It is straightforward for the user to import arbitrary target geometries into the code. DDSCAT automatically calculates total cross sections for absorption and scattering and selected elements of the Mueller scattering intensity matrix for user-specified scattering directions. DDSCAT 7.3 can efficiently calculate E and B throughout a user-specified volume containing the target. This User Guide explains how to use DDSCAT 7.3 to carry out electromagnetic scattering calculations, including use of DDPOSTPROCESS, a Fortran-90 code to perform calculations with E and B at user-selected locations near the target. A number of changes have been made since the last release, DDSCAT 7.2 .



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We performed a rigorous theoretical convergence analysis of the discrete dipole approximation (DDA). We prove that errors in any measured quantity are bounded by a sum of a linear and quadratic term in the size of a dipole d, when the latter is in th e range of DDA applicability. Moreover, the linear term is significantly smaller for cubically than for non-cubically shaped scatterers. Therefore, for small d errors for cubically shaped particles are much smaller than for non-cubically shaped. The relative importance of the linear term decreases with increasing size, hence convergence of DDA for large enough scatterers is quadratic in the common range of d. Extensive numerical simulations were carried out for a wide range of d. Finally we discuss a number of new developments in DDA and their consequences for convergence.
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