C.I. Calculations on the lower transitions in the terphenyl and quaterphenyl di-valent ions |
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Authors: | Irene P Cook G Jan Hoytink |
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Institution: | 1. Department of Chemistry, The University, Sheffield, England
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Abstract: | Energies and transition dipole moments for the lower electronic transitions in the terphenyl and quaterphenyl di-valent ions have been calculated starting from the Pople SCF MO's for the ground state ions. The configuration interaction included about one-hundred singly and doubly excited configurations. The results of the calculations for the lower allowed electronic transitions are in very satisfactory agreement with the experimental spectra. |
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