A new type of wavefunction for BH

  • R. J. Blint
  • , W. A. Goddard
  • , R. C. Ladner
  • , W. E. Palke

Research output: Contribution to journalArticlepeer-review

Abstract

The wavefunctions of BH have been obtained using a gneralization of the valence bond and Hartree-Fock methods known as the Spin-Coupling Optimized GI (SOGI) method. The shapes of the bonding and especially the nonbonding orbitals are discussed as are several properties of the molecules.

Original languageEnglish
Pages (from-to)302-306
Number of pages5
JournalChemical Physics Letters
Volume5
Issue number5
DOIs
Publication statusPublished - 15 Apr 1970
Externally publishedYes

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