30 research outputs found

    A large-scale correlated study of linear optical absorption and low-lying excited states of polyacenes: Pariser-Parr-Pople Hamiltonian

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    In this paper we present large-scale correlated calculations of linear optical absorption spectrum of oligo-acenes containing up to seven benzene rings. For the calculations we used the Pariser-Parr-Pople (P-P-P) Hamiltonian, along with the configuration interaction (CI) technique at various levels such as the full CI (FCI), the quadruple CI (QCI) and multi-reference singles-doubles CI (MRSDCI). The role of Coulomb parameters used in the P-P-P Hamiltonian was examined by considering standard Ohno parameters, as well as a screened set of parameters. A detailed analysis of the many-body character of the important excited states contributing to the linear absorption has also been performed. The results of our calculations have been compared extensively with the theoretical work of other authors, as well as with the experiments.Comment: 45 pages, 9 figure

    TanDEM-X PolarDEM 90 m of Antarctica: Generation and error characterization

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    We present the generation and validation of an updated version of the TanDEM-X Digital Elevation Model (DEM) of Antarctica: the TanDEM-X PolarDEM 90 m of Antarctica. Improvements compared to the global TanDEM-X DEM version include filling of gaps with newer acquisitions, interpolating of smaller voids, smoothing of noisy areas and replacing frozen or open sea areas with geoid undulations. For the latter, a new semi-automatic editing approach allowed the delineation of the coastline from DEM and amplitude data. Finally, the DEM was transformed into the cartographic Antarctic Polar Stereographic projection with a homogeneous metric spacing in northing and easting of 90 meters. As X-Band synthetic aperture radar (SAR) penetrates the snow and ice pack by several meters a new concept for absolute height adjustment was set up that relies on areas with stable penetration conditions and on ICESat (Ice, Cloud, and land Elevation Satellite) elevations. After DEM generation and editing, a sophisticated height error characterization of the whole Antarctic continent with ICESat and IceBridge data was carried out and a validation over blue ice achieved a mean vertical height error of just -0.3 m ± 2.5 m standard deviation. The filled and edited Antarctic TanDEM-X PolarDEM 90 m is outstanding due to its accuracy, homogeneity and coverage completeness. It is freely available for scientific purposes and provides a high-resolution dataset as basis for polar research, such as ice velocity, mass balance estimation or ortho-rectification

    SIBERIA - 2nd Progress Report

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    This report describes the work done during the second six month period of the SIBERIA project. With the increasing availability of ground truth information and ERS SAR imagery methodological questions could be adressed accordingly. Procedures for calculating geocoded incidence angle mask (GIMs), masking of shadow and layover areas, co-registration of satellite and GIS data, calibration of ERS images, filtering, rule- and data-based classification, accuracy assessment, and data transfer have been developed and tested. The results so far suggest that the ERS coherence and the JERS amplitude are the most important parameters for forest and landcover classification
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