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Ab-initio-calculations of low-lying verticalK-shell excitations in silane and mono-fluoro-silane

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

Multi-reference configuration interaction calculations of low-lying resonantK-shell excitations in the energy range below theK-shell ionization threshold have been performed for silane and mono-fluoro-silane. The calculated vertical transition energies are compared to experimentalK-shell photoabsorption spectra recorded by use of synchrotron radiation. The general structure and the intensity ratios of the experimental spectra are reproduced quite well by the present calculations; an assignment of the most prominent spectral features is undertaken. Correlations between the lowest dipole-allowedK-shell excitations of silane and mono-fluorosilane can be recognized.

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Authors and Affiliations

  1. Institut für Physikalische und Theoretische Chemie der Universität Bonn, Wegelerstrasse 12, W-5300, Bonn 1, Federal Republic of Germany

    A. Koch & S. D. Peyerimhoff

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  1. A. Koch
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  2. S. D. Peyerimhoff
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Koch, A., Peyerimhoff, S.D. Ab-initio-calculations of low-lying verticalK-shell excitations in silane and mono-fluoro-silane. Z Phys D - Atoms, Molecules and Clusters 23, 239–248 (1992). https://doi.org/10.1007/BF01437401

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  • DOI: https://doi.org/10.1007/BF01437401

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