Statistical model for delocalized π bonding in the C60 molecule

Daniel J. Lacks, Sabre Kais

Research output: Contribution to journalArticle

1 Citation (Scopus)

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
Publication statusPublished - 11 Feb 1994
Externally publishedYes

Fingerprint

Morse potential
Molecules
Binding energy
molecules
energy
binding energy
radii
Statistical Models

ASJC Scopus subject areas

  • Surfaces and Interfaces
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

Cite this

Statistical model for delocalized π bonding in the C60 molecule. / Lacks, Daniel J.; Kais, Sabre.

In: Chemical Physics Letters, Vol. 218, No. 3, 11.02.1994, p. 229-233.

Research output: Contribution to journalArticle

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