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Calculation of the electronic structure of ethylene by the SCF-Xα scattered wave method

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Abstract

The electronic structure of ethylene is investigated by the implementation of the Xα scattered wave method and a comparison is made with SCF LCAO results. Calculations are also carried out for different geometrical configurations of the molecule, in which one HCH plane is rotated through different angles relative to the other.

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Author notes

  1. Aldwyn H. Tang Kai

    Present address: Physics Department, University of the West Indies, St. Augustine, Trinidad

Authors and Affiliations

  1. Quantum Chemistry Group, Uppsala University, Sweden

    Aldwyn H. Tang Kai & Jean -Louis Calais

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  1. Aldwyn H. Tang Kai
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  2. Jean -Louis Calais
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Tang Kai, A.H., Calais, J.L. Calculation of the electronic structure of ethylene by the SCF-Xα scattered wave method. Theoret. Chim. Acta 40, 231–236 (1975). https://doi.org/10.1007/BF00548457

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  • DOI: https://doi.org/10.1007/BF00548457

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