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

研究成果: Article査読

7 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)303-307
ページ数5
ジャーナルChemical Physics Letters
59
2
DOI
出版ステータスPublished - 1978 11 15
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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