Mutiplet structures of C60 ions

R. Saito, G. Dresselhaus, M. S. Dresselhaus

研究成果: Article査読

24 被引用数 (Scopus)

抄録

The multiplet structures of C60 ions are calculated by the semi-empirical procedure, MOPAC, using the calculation library. Configurational interaction calculations within the valence orbitals show that the ground states for Cn- ions (0≤n≤5) are consistent with group theory which predicts that the symmetry breaking will be caused by the addition of electrons. The energy difference between the high spin states and low spin states in the multiplet is very small, suggesting that the electron-electron interaction is comparable to the charge transfer energy in a molecule.

本文言語English
ページ(範囲)159-164
ページ数6
ジャーナルChemical Physics Letters
210
1-3
DOI
出版ステータスPublished - 1993 7 23
外部発表はい

ASJC Scopus subject areas

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

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