AN LCAO/MO/CI TREATMENT OF THE LINEAR METHYLENE RADICAL

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1960

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Ohio State University

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“The lowest-energy states of various symmetries for the linear CH2 radical, with a C-H bond length of 1.03\AA have been calculated as a six-electron problem in LCAO/MO/CI approximation: Preliminary results show that the state of lowest energy has aΣg symmetry; that the lowest 3Πu state is 20.2 eV higher in energy; and, so far no allowed transitions with energies less than 6 eV between separate electronic states of the linear molecule have been found.”

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Author Institution: Department of Chemistry, McMaster University

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