ベンゼン分子の反磁性係数の異方性の計算

DOI

説明

The large anisotropy of diamagnetic susceptibility of benzene, which is considered to be due to the free migration of π-electrons, is investigated by the antisymmetrized LCAOMO method.We have included all the cofigurations obtained by excitation of one or two electrons from the lowest configuration, and we have retained all manycenter-integrals.The calculated value of diamagnetic anisotropy is about 50% of the experimental value.The effect of configuration interaction was found to be rather small.

収録刊行物

  • 物性論研究

    物性論研究 1954 (70), 68-88, 1954

    物性研究・電子版 編集委員会

詳細情報 詳細情報について

  • CRID
    1390001205374326144
  • NII論文ID
    130004021292
  • DOI
    10.11177/busseiron1943.1954.68
  • ISSN
    18837808
  • 本文言語コード
    ja
  • データソース種別
    • JaLC
    • CiNii Articles
  • 抄録ライセンスフラグ
    使用不可

問題の指摘

ページトップへ