DODS natural-orbital CI (DODS-NO CI) approach to the excited states of unstable molecules: twisted substituted ethyelenes

K. Yamaguchi, S. Yabushita, O. Minokawa, T. Fueno

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The electronic structures of the excited states of a few substituted ethylenes in the planar and perpendicularly twisted forms were investigated by the RHF CI and DODS-NO CI methods in the INDO approximation. It was found that the latter methods provides reasonable descriptions of the lower-lying excited states of both conformations. The limited DODS-NO CI method thus seems to be reliable enough for thereotical investigations of the excited states of unstable molecules.

Original languageEnglish
Pages (from-to)303-307
Number of pages5
JournalChemical Physics Letters
Volume59
Issue number2
DOIs
Publication statusPublished - 1978 Nov 15
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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