Mutiplet structures of C60 ions

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

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)159-164
Number of pages6
JournalChemical Physics Letters
Volume210
Issue number1-3
DOIs
Publication statusPublished - 1993 Jul 23
Externally publishedYes

ASJC Scopus subject areas

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

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