Bond orders and valences from ab initio wave functions

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377 Citations (Scopus)

Abstract

The definition and properties of the bond order and valence indices calculated from ab initio wave functions are summarized. Their physical interpretation relationships to the exchange effects in bonding and generalization to correlated wave functions are also discussed. Some examples with typical bond order and valence values are shown.

Original languageEnglish
Pages (from-to)477-483
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume29
Issue number3
DOIs
Publication statusPublished - 1986

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Wave functions
wave functions
valence

ASJC Scopus subject areas

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

Cite this

Bond orders and valences from ab initio wave functions. / Mayer, I.

In: International Journal of Quantum Chemistry, Vol. 29, No. 3, 1986, p. 477-483.

Research output: Contribution to journalArticle

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