Theoretical and Experimental Chemistry

, Volume 25, Issue 6, pp 607–611 | Cite as

Dipole polarizability in π systems in complete configuration interaction

  • Yu. F. Pedash
  • V. V. Ivanov
  • A. V. Luzanov
Article
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Abstract

Electron polarizabilities α have been calculated for the π shells in certain conjugated hydrocarbons on the basis of complete configuration interaction. The calculations have been based on the wave-operator method (Teor. Éksp. Khim., 25, No. 1, 1 (1989)). In a polyene series, α increases nonadditively with the chain length, but not as sharply as MO calculations predict. Results are compared for singlet and triplet states in π systems with various types of topology.

Keywords

Hydrocarbon Chain Length Triplet State Configuration Interaction Electron Polarizability 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© Plenum Publishing Corporation 1990

Authors and Affiliations

  • Yu. F. Pedash
    • 1
  • V. V. Ivanov
    • 1
  • A. V. Luzanov
    • 1
  1. 1.Kharkov UniversityUSSR

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