Statistical model for delocalized π bonding in the C60 molecule

Daniel J. Lacks, Sabre Kais

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Abstract

We present a model for the C60 molecule in which the σ bond energy is given by pairwise Morse potentials and the π bond energy is given by a statistical model. Good results for the binding energy and equilibrium sphere radius are obtained when exchange and correlation energies are included in the model, whereas poor results are obtained when these effects are neglected.

Original languageEnglish
Pages (from-to)229-233
Number of pages5
JournalChemical Physics Letters
Volume218
Issue number3
DOIs
Publication statusPublished - 11 Feb 1994

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ASJC Scopus subject areas

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

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