Exchange, correlation, and band gaps in conjugated linear chains

J. M. André*, Jean-Luc Bredas, B. Thémans, L. Piela

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

In the case of conjugated polyenic chains (polyacetylene), the relationships between the long‐ (or short‐) range nature of the restricted Hartree–Fock exchange interaction, the role of correlation effects, and the size of energy gaps are illustrated.

Original languageEnglish (US)
Pages (from-to)1065-1072
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume23
Issue number3
DOIs
StatePublished - Jan 1 1983

ASJC Scopus subject areas

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

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